AB50839
914988-10-6 | 3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB50839
ChemicalName
3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
CasNumber
914988-10-6
MolecularFormula
C11H16N2O3
MolecularWeight
224.2563
MdlNumber
MFCD11109814
Smiles
N#CC1CN(CCC1=O)C(=O)OC(C)(C)C
Complexity
348
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AB50839
ChemicalName: 3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
CasNumber: 914988-10-6
MolecularFormula: C11H16N2O3
MolecularWeight: 224.2563
MdlNumber: MFCD11109814
Smiles: N#CC1CN(CCC1=O)C(=O)OC(C)(C)C
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AB50839
ChemicalName:
3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
CasNumber:
914988-10-6
MolecularFormula:
C11H16N2O3
MolecularWeight:
224.2563
MdlNumber:
MFCD11109814
Smiles:
N#CC1CN(CCC1=O)C(=O)OC(C)(C)C
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc2NC(=NS(=O)(=O)c2cc1S(=O)(=O)N)CSCc1ccccc1
Complexity: 739
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc2NC(=NS(=O)(=O)c2cc1S(=O)(=O)N)CSCc1ccccc1
Complexity:
739
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(n1)S(=O)(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1cccc(n1)S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc2c1CCCN2.Cl
Complexity: 138
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc2c1CCCN2.Cl
Complexity:
138
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__