AA89705
167414-75-7 | 4-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid benzyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA89705
ChemicalName
4-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid benzyl ester
CasNumber
167414-75-7
MolecularFormula
C18H23NO5
MolecularWeight
333.3789
MdlNumber
MFCD04115570
Smiles
CCOC(=O)CC(=O)C1CCN(CC1)C(=O)OCc1ccccc1
Complexity
437
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
RotatableBondCount
8
Xlogp3
2.2
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CatalogNumber: AA89705
ChemicalName: 4-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid benzyl ester
CasNumber: 167414-75-7
MolecularFormula: C18H23NO5
MolecularWeight: 333.3789
MdlNumber: MFCD04115570
Smiles: CCOC(=O)CC(=O)C1CCN(CC1)C(=O)OCc1ccccc1
Complexity: 437
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
RotatableBondCount: 8
Xlogp3: 2.2
CatalogNumber:
AA89705
ChemicalName:
4-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid benzyl ester
CasNumber:
167414-75-7
MolecularFormula:
C18H23NO5
MolecularWeight:
333.3789
MdlNumber:
MFCD04115570
Smiles:
CCOC(=O)CC(=O)C1CCN(CC1)C(=O)OCc1ccccc1
Complexity:
437
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
RotatableBondCount:
8
Xlogp3:
2.2
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Smiles: OC(=O)c1cccc(c1)/C=C(/c1cc2c(cc1C)C(C)(C)CCC2(C)C)C
Complexity: __
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Smiles:
OC(=O)c1cccc(c1)/C=C(/c1cc2c(cc1C)C(C)(C)CCC2(C)C)C
Complexity:
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Smiles: c1ccc(nc1)c1cccc(n1)c1ncnc(c1)c1cccc(n1)c1ccccn1
Complexity: __
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Smiles:
c1ccc(nc1)c1cccc(n1)c1ncnc(c1)c1cccc(n1)c1ccccn1
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Smiles: O=C(CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O)OCCOC(=O)CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
Complexity: __
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Smiles:
O=C(CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O)OCCOC(=O)CCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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