[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone

C18H18N4O — CID 46509091

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H18N4O/c23-18(13-7-9-19-10-8-13)22-11-3-4-14(12-22)17-20-15-5-1-2-6-16(15)21-17/h1-2,5-10,14H,3-4,11-12H2,(H,20,21)
InChIKeyDKRWPQZRFQRVGW-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.98
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 46509091) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID46509091
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H18N4O/c23-18(13-7-9-19-10-8-13)22-11-3-4-14(12-22)17-20-15-5-1-2-6-16(15)21-17/h1-2,5-10,14H,3-4,11-12H2,(H,20,21)
InChIKeyDKRWPQZRFQRVGW-UHFFFAOYSA-N
XLogP2.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone 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

[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 47993008
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 42932459
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone
CID 46692363
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 46509091) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is DKRWPQZRFQRVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(13-7-9-19-10-8-13)22-11-3-4-14(12-22)17-20-15-5-1-2-6-16(15)21-17/h1-2,5-10,14H,3-4,11-12H2,(H,20,21).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 46509091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).