AE94998
193274-00-9 | 1-tert-Butyl 3-methyl 3-benzyl-4-oxopiperidine-1,3-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE94998
ChemicalName
1-tert-Butyl 3-methyl 3-benzyl-4-oxopiperidine-1,3-dicarboxylate
CasNumber
193274-00-9
MolecularFormula
C19H25NO5
MolecularWeight
347.4055
MdlNumber
MFCD11617899
Smiles
COC(=O)C1(Cc2ccccc2)CN(CCC1=O)C(=O)OC(C)(C)C
Complexity
518
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AE94998
ChemicalName: 1-tert-Butyl 3-methyl 3-benzyl-4-oxopiperidine-1,3-dicarboxylate
CasNumber: 193274-00-9
MolecularFormula: C19H25NO5
MolecularWeight: 347.4055
MdlNumber: MFCD11617899
Smiles: COC(=O)C1(Cc2ccccc2)CN(CCC1=O)C(=O)OC(C)(C)C
Complexity: 518
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AE94998
ChemicalName:
1-tert-Butyl 3-methyl 3-benzyl-4-oxopiperidine-1,3-dicarboxylate
CasNumber:
193274-00-9
MolecularFormula:
C19H25NO5
MolecularWeight:
347.4055
MdlNumber:
MFCD11617899
Smiles:
COC(=O)C1(Cc2ccccc2)CN(CCC1=O)C(=O)OC(C)(C)C
Complexity:
518
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
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Smiles: NC1CN(C1)C(C)(C)C
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NC1CN(C1)C(C)(C)C
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Smiles: NCCc1c[nH]c2c1cccc2F.Cl
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NCCc1c[nH]c2c1cccc2F.Cl
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Smiles: O=C(c1ccccc1C(=O)O)NCc1ccccc1
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(c1ccccc1C(=O)O)NCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__