AA78821
156779-11-2 | Methyl 1-benzyl-6-oxopiperidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA78821
ChemicalName
Methyl 1-benzyl-6-oxopiperidine-3-carboxylate
CasNumber
156779-11-2
MolecularFormula
C14H17NO3
MolecularWeight
247.2897
MdlNumber
MFCD16883082
Smiles
COC(=O)C1CCC(=O)N(C1)Cc1ccccc1
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AA78821
ChemicalName: Methyl 1-benzyl-6-oxopiperidine-3-carboxylate
CasNumber: 156779-11-2
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD16883082
Smiles: COC(=O)C1CCC(=O)N(C1)Cc1ccccc1
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AA78821
ChemicalName:
Methyl 1-benzyl-6-oxopiperidine-3-carboxylate
CasNumber:
156779-11-2
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD16883082
Smiles:
COC(=O)C1CCC(=O)N(C1)Cc1ccccc1
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: __
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Smiles: COC(=O)C1=CN(C(=O)CC1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
COC(=O)C1=CN(C(=O)CC1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: Cc1ccc(cc1)c1noc(c1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
Cc1ccc(cc1)c1noc(c1)C
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: COC(=O)[C@@H]1[C@H](C[C@@H]2N([C@H]1CC2)C)OC(c1ccc(cc1)F)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1[C@H](C[C@@H]2N([C@H]1CC2)C)OC(c1ccc(cc1)F)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__