3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one

C23H26N4O2 — CID 172666091

IUPAC3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CCCC(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C23H26N4O2/c1-15-10-12-27(17-8-9-17)23(29)21(15)22(28)26-11-4-5-16(14-26)13-20-24-18-6-2-3-7-19(18)25-20/h2-3,6-7,10,12,16-17H,4-5,8-9,11,13-14H2,1H3,(H,24,25)
InChIKeyRZSONNGIGGOYJK-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.46
Rot. Bonds4

About 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one

3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one (PubChem CID 172666091) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one
PubChem CID172666091
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CCCC(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C23H26N4O2/c1-15-10-12-27(17-8-9-17)23(29)21(15)22(28)26-11-4-5-16(14-26)13-20-24-18-6-2-3-7-19(18)25-20/h2-3,6-7,10,12,16-17H,4-5,8-9,11,13-14H2,1H3,(H,24,25)
InChIKeyRZSONNGIGGOYJK-UHFFFAOYSA-N
XLogP3.46
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one 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

5-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 91771611
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 95227399
1-[3-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]phenyl]ethanone
CID 97126619
3-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one
CID 172658504
1-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 97128087
[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
CID 70781186
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 97145071
4-[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]benzonitrile
CID 97112186
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 95219183
6-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98267258
[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70720168
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97131598

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one?
The IUPAC name of 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one (CID 172666091) is 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one is Cc1ccn(C2CC2)c(=O)c1C(=O)N1CCCC(Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one?
The InChIKey is RZSONNGIGGOYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-10-12-27(17-8-9-17)23(29)21(15)22(28)26-11-4-5-16(14-26)13-20-24-18-6-2-3-7-19(18)25-20/h2-3,6-7,10,12,16-17H,4-5,8-9,11,13-14H2,1H3,(H,24,25).
What are the key properties of 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one?
3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one has a molecular weight of 390.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-1-cyclopropyl-4-methylpyridin-2-one is sourced from PubChem (CID 172666091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).