1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide

C21H29ClN2O2 — CID 24794182

IUPAC1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H29ClN2O2/c22-19-10-7-17(8-11-19)14-24-15-18(9-12-20(24)25)21(26)23-13-3-6-16-4-1-2-5-16/h7-8,10-11,16,18H,1-6,9,12-15H2,(H,23,26)
InChIKeyZXTALRBDKRBNGL-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.17
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24794182) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID24794182
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H29ClN2O2/c22-19-10-7-17(8-11-19)14-24-15-18(9-12-20(24)25)21(26)23-13-3-6-16-4-1-2-5-16/h7-8,10-11,16,18H,1-6,9,12-15H2,(H,23,26)
InChIKeyZXTALRBDKRBNGL-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide (CID 24794182) is 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide is O=C(NCCCC1CCCC1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is ZXTALRBDKRBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c22-19-10-7-17(8-11-19)14-24-15-18(9-12-20(24)25)21(26)23-13-3-6-16-4-1-2-5-16/h7-8,10-11,16,18H,1-6,9,12-15H2,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(3-cyclopentylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).