N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide

C14H18N4O — CID 110482372

IUPACN-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)C1CCCCN1
InChIInChI=1S/C14H18N4O/c19-14(12-3-1-2-6-15-12)16-8-10-4-5-11-13(7-10)18-9-17-11/h4-5,7,9,12,15H,1-3,6,8H2,(H,16,19)(H,17,18)
InChIKeyKKBIVCDJYWWZQG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.32
Rot. Bonds3

About N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide

N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide (PubChem CID 110482372) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide
PubChem CID110482372
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)C1CCCCN1
InChIInChI=1S/C14H18N4O/c19-14(12-3-1-2-6-15-12)16-8-10-4-5-11-13(7-10)18-9-17-11/h4-5,7,9,12,15H,1-3,6,8H2,(H,16,19)(H,17,18)
InChIKeyKKBIVCDJYWWZQG-UHFFFAOYSA-N
XLogP1.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
CID 110775446
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119268706

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide (CID 110482372) is N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide is O=C(NCc1ccc2nc[nH]c2c1)C1CCCCN1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide?
The InChIKey is KKBIVCDJYWWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(12-3-1-2-6-15-12)16-8-10-4-5-11-13(7-10)18-9-17-11/h4-5,7,9,12,15H,1-3,6,8H2,(H,16,19)(H,17,18).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide?
N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 110482372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).