N-benzylpiperidine-4-carboxamide

C13H18N2O — CID 3868064

IUPACN-benzylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCNCC1
InChIInChI=1S/C13H18N2O/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)
InChIKeyKKXCMMIWHOYQCM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.30
Rot. Bonds3

About N-benzylpiperidine-4-carboxamide

N-benzylpiperidine-4-carboxamide (PubChem CID 3868064) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-benzylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzylpiperidine-4-carboxamide
PubChem CID3868064
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-benzylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCNCC1
InChIInChI=1S/C13H18N2O/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)
InChIKeyKKXCMMIWHOYQCM-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-benzyl-N'-(piperidine-4-carbonyl)oxamide
CID 108508974
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119929795
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668

Frequently Asked Questions

What is the IUPAC name of N-benzylpiperidine-4-carboxamide?
The IUPAC name of N-benzylpiperidine-4-carboxamide (CID 3868064) is N-benzylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzylpiperidine-4-carboxamide?
The canonical SMILES for N-benzylpiperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCNCC1.
What is the InChIKey of N-benzylpiperidine-4-carboxamide?
The InChIKey is KKXCMMIWHOYQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16).
What are the key properties of N-benzylpiperidine-4-carboxamide?
N-benzylpiperidine-4-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpiperidine-4-carboxamide is sourced from PubChem (CID 3868064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).