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

C21H29FN2O2 — CID 24817106

IUPACN-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)C1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C21H29FN2O2/c22-19-9-3-7-17(13-19)14-24-15-18(10-11-20(24)25)21(26)23-12-4-8-16-5-1-2-6-16/h3,7,9,13,16,18H,1-2,4-6,8,10-12,14-15H2,(H,23,26)
InChIKeyVTEIPYSWKYFUSN-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.65
Rot. Bonds7

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

N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817106) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817106
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC NameN-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCCC1CCCC1)C1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C21H29FN2O2/c22-19-9-3-7-17(13-19)14-24-15-18(10-11-20(24)25)21(26)23-12-4-8-16-5-1-2-6-16/h3,7,9,13,16,18H,1-2,4-6,8,10-12,14-15H2,(H,23,26)
InChIKeyVTEIPYSWKYFUSN-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.65
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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Related Compounds

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CID 10178009
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CID 285516
N1-(4-fluorobenzyl)-2-benzyl-N3-hydroxymalonamide
CID 16114884
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
(S)-N-(3-(4-(2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415755
N-((1S)-3-(4-(N-ethyl-2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590635
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
N-[1-(2-fluorobenzyl)piperidin-3-yl]cyclobutanecarboxamide
CID 23723581
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-cyclopropyl-N-(3-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794298

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817106) is N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCCCC1CCCC1)C1CCC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is VTEIPYSWKYFUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-19-9-3-7-17(13-19)14-24-15-18(10-11-20(24)25)21(26)23-12-4-8-16-5-1-2-6-16/h3,7,9,13,16,18H,1-2,4-6,8,10-12,14-15H2,(H,23,26).
What are the key properties of N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).