1-benzyl-N-pentylpiperidine-4-carboxamide

C18H28N2O — CID 45011479

IUPAC1-benzyl-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-3-7-12-19-18(21)17-10-13-20(14-11-17)15-16-8-5-4-6-9-16/h4-6,8-9,17H,2-3,7,10-15H2,1H3,(H,19,21)
InChIKeyAOTFJDNTOUGIPZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.20
Rot. Bonds7

About 1-benzyl-N-pentylpiperidine-4-carboxamide

1-benzyl-N-pentylpiperidine-4-carboxamide (PubChem CID 45011479) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-benzyl-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-pentylpiperidine-4-carboxamide
PubChem CID45011479
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-benzyl-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-3-7-12-19-18(21)17-10-13-20(14-11-17)15-16-8-5-4-6-9-16/h4-6,8-9,17H,2-3,7,10-15H2,1H3,(H,19,21)
InChIKeyAOTFJDNTOUGIPZ-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.20
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-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361887
1-(benzylcarbamothioyl)-N-pentylpiperidine-4-carboxamide
CID 43076523
1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 136512544
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
N-butyl-1-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]piperidine-4-carboxamide
CID 134094205

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-pentylpiperidine-4-carboxamide (CID 45011479) is 1-benzyl-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-pentylpiperidine-4-carboxamide?
The InChIKey is AOTFJDNTOUGIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-7-12-19-18(21)17-10-13-20(14-11-17)15-16-8-5-4-6-9-16/h4-6,8-9,17H,2-3,7,10-15H2,1H3,(H,19,21).
What are the key properties of 1-benzyl-N-pentylpiperidine-4-carboxamide?
1-benzyl-N-pentylpiperidine-4-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 45011479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).