AE99166
154548-45-5 | 4-Oxo-piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AE99166
ChemicalName
4-Oxo-piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester
CasNumber
154548-45-5
MolecularFormula
C16H19NO5
MolecularWeight
305.3258
MdlNumber
MFCD06738732
Smiles
CCC1(CN(CCC1=O)C(=O)OCc1ccccc1)C(=O)O
Complexity
417
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AE99166
ChemicalName: 4-Oxo-piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester
CasNumber: 154548-45-5
MolecularFormula: C16H19NO5
MolecularWeight: 305.3258
MdlNumber: MFCD06738732
Smiles: CCC1(CN(CCC1=O)C(=O)OCc1ccccc1)C(=O)O
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AE99166
ChemicalName:
4-Oxo-piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester
CasNumber:
154548-45-5
MolecularFormula:
C16H19NO5
MolecularWeight:
305.3258
MdlNumber:
MFCD06738732
Smiles:
CCC1(CN(CCC1=O)C(=O)OCc1ccccc1)C(=O)O
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1coc(n1)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1coc(n1)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1coc(n1)c1cccc(c1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1coc(n1)c1cccc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AE99169
ChemicalName: 1-(6-Chloropyridin-2-yl)ethanone
CasNumber: 152356-57-5
MolecularFormula: C7H6ClNO
MolecularWeight: 155.5816
MdlNumber: MFCD07375070
Smiles: Clc1cccc(n1)C(=O)C
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
AE99169
ChemicalName:
1-(6-Chloropyridin-2-yl)ethanone
CasNumber:
152356-57-5
MolecularFormula:
C7H6ClNO
MolecularWeight:
155.5816
MdlNumber:
MFCD07375070
Smiles:
Clc1cccc(n1)C(=O)C
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8