1-benzoyl-N-octylpiperidine-3-carboxamide

C21H32N2O2 — CID 70028584

IUPAC1-benzoyl-N-octylpiperidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C21H32N2O2/c1-2-3-4-5-6-10-15-22-20(24)19-14-11-16-23(17-19)21(25)18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3,(H,22,24)
InChIKeyLOWNGMYJDGZQPB-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.02
Rot. Bonds9

About 1-benzoyl-N-octylpiperidine-3-carboxamide

1-benzoyl-N-octylpiperidine-3-carboxamide (PubChem CID 70028584) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-benzoyl-N-octylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-octylpiperidine-3-carboxamide
PubChem CID70028584
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-benzoyl-N-octylpiperidine-3-carboxamide
SMILESCCCCCCCCNC(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C21H32N2O2/c1-2-3-4-5-6-10-15-22-20(24)19-14-11-16-23(17-19)21(25)18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3,(H,22,24)
InChIKeyLOWNGMYJDGZQPB-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.02
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

methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-hexyl-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 60608535
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92729025
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
1-benzhydryl-N-octylpiperidine-3-carboxamide
CID 58022649
3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-(tetradecylcarbamoyl)pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 154586656
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-octylpiperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-octylpiperidine-3-carboxamide (CID 70028584) is 1-benzoyl-N-octylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-octylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-octylpiperidine-3-carboxamide is CCCCCCCCNC(=O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-N-octylpiperidine-3-carboxamide?
The InChIKey is LOWNGMYJDGZQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-2-3-4-5-6-10-15-22-20(24)19-14-11-16-23(17-19)21(25)18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3,(H,22,24).
What are the key properties of 1-benzoyl-N-octylpiperidine-3-carboxamide?
1-benzoyl-N-octylpiperidine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-octylpiperidine-3-carboxamide is sourced from PubChem (CID 70028584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).