1-benzhydryl-N-octylpiperidine-3-carboxamide

C27H38N2O — CID 58022649

IUPAC1-benzhydryl-N-octylpiperidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C27H38N2O/c1-2-3-4-5-6-13-20-28-27(30)25-19-14-21-29(22-25)26(23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18,25-26H,2-6,13-14,19-22H2,1H3,(H,28,30)
InChIKeyVNQMCQDXTMVUNF-UHFFFAOYSA-N
MW406.61 g/mol
LogP5.96
Rot. Bonds11

About 1-benzhydryl-N-octylpiperidine-3-carboxamide

1-benzhydryl-N-octylpiperidine-3-carboxamide (PubChem CID 58022649) has the molecular formula C27H38N2O and a molecular weight of 406.61 g/mol. Its IUPAC name is 1-benzhydryl-N-octylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzhydryl-N-octylpiperidine-3-carboxamide
PubChem CID58022649
Molecular FormulaC27H38N2O
Molecular Weight406.61 g/mol
Exact Mass406.30
IUPAC Name1-benzhydryl-N-octylpiperidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1CCCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C27H38N2O/c1-2-3-4-5-6-13-20-28-27(30)25-19-14-21-29(22-25)26(23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18,25-26H,2-6,13-14,19-22H2,1H3,(H,28,30)
InChIKeyVNQMCQDXTMVUNF-UHFFFAOYSA-N
XLogP5.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 55.96
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

1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
(3S)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085825
(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085824
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
CID 111464473
(3S)-1-[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]-N-hexylpiperidine-3-carboxamide
CID 52504181

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-N-octylpiperidine-3-carboxamide?
The IUPAC name of 1-benzhydryl-N-octylpiperidine-3-carboxamide (CID 58022649) is 1-benzhydryl-N-octylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzhydryl-N-octylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzhydryl-N-octylpiperidine-3-carboxamide is CCCCCCCCNC(=O)C1CCCN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-N-octylpiperidine-3-carboxamide?
The InChIKey is VNQMCQDXTMVUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O/c1-2-3-4-5-6-13-20-28-27(30)25-19-14-21-29(22-25)26(23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18,25-26H,2-6,13-14,19-22H2,1H3,(H,28,30).
What are the key properties of 1-benzhydryl-N-octylpiperidine-3-carboxamide?
1-benzhydryl-N-octylpiperidine-3-carboxamide has a molecular weight of 406.61 g/mol, XLogP of 5.96, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-N-octylpiperidine-3-carboxamide is sourced from PubChem (CID 58022649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).