[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone

C20H22N4O — CID 124753012

IUPAC[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1CCCN(CCn2cnc3ccccc32)C1
InChIInChI=1S/C20H22N4O/c25-20(18-8-3-4-10-21-18)16-6-5-11-23(14-16)12-13-24-15-22-17-7-1-2-9-19(17)24/h1-4,7-10,15-16H,5-6,11-14H2/t16-/m1/s1
InChIKeyLCEAGOKWLMXSOR-MRXNPFEDSA-N
MW334.42 g/mol
LogP3.03
Rot. Bonds5

About [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone

[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 124753012) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID124753012
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1CCCN(CCn2cnc3ccccc32)C1
InChIInChI=1S/C20H22N4O/c25-20(18-8-3-4-10-21-18)16-6-5-11-23(14-16)12-13-24-15-22-17-7-1-2-9-19(17)24/h1-4,7-10,15-16H,5-6,11-14H2/t16-/m1/s1
InChIKeyLCEAGOKWLMXSOR-MRXNPFEDSA-N
XLogP3.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-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)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753964
1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole
CID 118763615
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001859
[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 95202414
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517
[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 77091978
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 124752283
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 91832837

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 124753012) is [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)[C@@H]1CCCN(CCn2cnc3ccccc32)C1.
What is the InChIKey of [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is LCEAGOKWLMXSOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(18-8-3-4-10-21-18)16-6-5-11-23(14-16)12-13-24-15-22-17-7-1-2-9-19(17)24/h1-4,7-10,15-16H,5-6,11-14H2/t16-/m1/s1.
What are the key properties of [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone?
[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 124753012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).