[6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone

C20H23N3O2 — CID 19133658

IUPAC[6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC=CCC1C(=O)n1cnc2ccccc21)N1CCCCC1
InChIInChI=1S/C20H23N3O2/c24-19(22-12-6-1-7-13-22)15-8-2-3-9-16(15)20(25)23-14-21-17-10-4-5-11-18(17)23/h2-5,10-11,14-16H,1,6-9,12-13H2
InChIKeyJSCOOIRMNWYRHB-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.27
Rot. Bonds2

About [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone

[6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone (PubChem CID 19133658) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone
PubChem CID19133658
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC=CCC1C(=O)n1cnc2ccccc21)N1CCCCC1
InChIInChI=1S/C20H23N3O2/c24-19(22-12-6-1-7-13-22)15-8-2-3-9-16(15)20(25)23-14-21-17-10-4-5-11-18(17)23/h2-5,10-11,14-16H,1,6-9,12-13H2
InChIKeyJSCOOIRMNWYRHB-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-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

benzimidazol-1-yl(oxolan-2-yl)methanone
CID 4560119
(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 93083461
4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 18885924
N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133659
[2-(azepan-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3692305
3-(benzimidazol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 25352199
N-cyclohexyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 44761689
azepan-1-yl-(5,6-dimethylbenzimidazol-1-yl)methanone
CID 2928818
benzimidazol-1-yl(indazol-1-yl)methanone
CID 67255465
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
N-phenylbenzimidazole-1-carboxamide
CID 13125705

Frequently Asked Questions

What is the IUPAC name of [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone (CID 19133658) is [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone is O=C(C1CC=CCC1C(=O)n1cnc2ccccc21)N1CCCCC1.
What is the InChIKey of [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone?
The InChIKey is JSCOOIRMNWYRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(22-12-6-1-7-13-22)15-8-2-3-9-16(15)20(25)23-14-21-17-10-4-5-11-18(17)23/h2-5,10-11,14-16H,1,6-9,12-13H2.
What are the key properties of [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone?
[6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone has a molecular weight of 337.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzimidazole-1-carbonyl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 19133658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).