1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone

C22H35N3O3S — CID 25274228

IUPAC1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone
SMILESCC(=O)[C@H]1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)C1
InChIInChI=1S/C22H35N3O3S/c1-17(26)20-8-5-11-24(14-20)15-21-12-23-22(29(27,28)16-19-9-10-19)25(21)13-18-6-3-2-4-7-18/h12,18-20H,2-11,13-16H2,1H3/t20-/m0/s1
InChIKeyHGEPNYXNSCSXFF-FQEVSTJZSA-N
MW421.61 g/mol
LogP3.45
Rot. Bonds8

About 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone

1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone (PubChem CID 25274228) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone
PubChem CID25274228
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone
SMILESCC(=O)[C@H]1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)C1
InChIInChI=1S/C22H35N3O3S/c1-17(26)20-8-5-11-24(14-20)15-21-12-23-22(29(27,28)16-19-9-10-19)25(21)13-18-6-3-2-4-7-18/h12,18-20H,2-11,13-16H2,1H3/t20-/m0/s1
InChIKeyHGEPNYXNSCSXFF-FQEVSTJZSA-N
XLogP3.45
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone 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-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxamide
CID 45199276
(1-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanone
CID 45178170
1-acetyl-4-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-1,4-diazepane
CID 25274489
4-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)thiomorpholine
CID 28811598
4-({1-(cyclohexylmethyl)-2-[(2-methoxyethyl)sulfonyl]-1H-imidazol-5-yl}methyl)morpholine
CID 29085530
1-[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}methanamine
CID 30722304
({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)dimethylamine
CID 42097491
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-4-methylpiperidine
CID 42196262
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-L-prolinamide
CID 42509391
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-4-piperidinol
CID 42520583
1-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-4-(1-piperidinylcarbonyl)piperidine
CID 42520757
2,2'-[({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)imino]diethanol
CID 42596127

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone (CID 25274228) is 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone is CC(=O)[C@H]1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)C1.
What is the InChIKey of 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone?
The InChIKey is HGEPNYXNSCSXFF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-17(26)20-8-5-11-24(14-20)15-21-12-23-22(29(27,28)16-19-9-10-19)25(21)13-18-6-3-2-4-7-18/h12,18-20H,2-11,13-16H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone?
1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone has a molecular weight of 421.61 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 25274228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).