2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine

C49H70N6O4 — CID 157123322

IUPAC2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine
SMILESCOC1CCC(CC(=O)N2CCC(n3cnc(-c4ccc(C)cc4)c3)CC2)CC1.COC1CCC(CC(C)=O)CC1.Cc1ccc(-c2cn(C3CCNCC3)cn2)cc1
InChIInChI=1S/C24H33N3O2.C15H19N3.C10H18O2/c1-18-3-7-20(8-4-18)23-16-27(17-25-23)21-11-13-26(14-12-21)24(28)15-19-5-9-22(29-2)10-6-19;1-12-2-4-13(5-3-12)15-10-18(11-17-15)14-6-8-16-9-7-14;1-8(11)7-9-3-5-10(12-2)6-4-9/h3-4,7-8,16-17,19,21-22H,5-6,9-15H2,1-2H3;2-5,10-11,14,16H,6-9H2,1H3;9-10H,3-7H2,1-2H3
InChIKeyAIFPKIWHJVLPAZ-UHFFFAOYSA-N
MW807.14 g/mol
LogP9.57
Rot. Bonds10

About 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine

2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine (PubChem CID 157123322) has the molecular formula C49H70N6O4 and a molecular weight of 807.14 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine
PubChem CID157123322
Molecular FormulaC49H70N6O4
Molecular Weight807.14 g/mol
Exact Mass806.55
IUPAC Name2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine
SMILESCOC1CCC(CC(=O)N2CCC(n3cnc(-c4ccc(C)cc4)c3)CC2)CC1.COC1CCC(CC(C)=O)CC1.Cc1ccc(-c2cn(C3CCNCC3)cn2)cc1
InChIInChI=1S/C24H33N3O2.C15H19N3.C10H18O2/c1-18-3-7-20(8-4-18)23-16-27(17-25-23)21-11-13-26(14-12-21)24(28)15-19-5-9-22(29-2)10-6-19;1-12-2-4-13(5-3-12)15-10-18(11-17-15)14-6-8-16-9-7-14;1-8(11)7-9-3-5-10(12-2)6-4-9/h3-4,7-8,16-17,19,21-22H,5-6,9-15H2,1-2H3;2-5,10-11,14,16H,6-9H2,1H3;9-10H,3-7H2,1-2H3
InChIKeyAIFPKIWHJVLPAZ-UHFFFAOYSA-N
XLogP9.57
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.14
LogP ≤ 59.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine 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

(8S,11S,14S)-11-benzyl-N-[(2S,3S,5S)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]-3,9,12-trioxo-1,4,10,13,17-pentazatricyclo[14.2.1.04,8]nonadeca-16(19),17-diene-14-carboxamide
CID 71457568
cyclohexylmethyl N-[(3R)-1-[[(1R)-2-[(2S)-2-[5-[4-[4-[(4-methoxycyclohexanecarbonyl)amino]cyclohexyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 162662459
N-[(2S)-2-[[[(R)-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methyl]-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]carbamoyl]amino]propyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
CID 90457821
N-[(2S)-2-[[[[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methyl]-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]carbamoyl]amino]propyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
CID 90457823
N-[2-[[[(R)-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methyl]-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]carbamoyl]amino]propyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
CID 90457824
(3R)-6,6,6-trifluoro-N-(oxan-4-yl)-3-[5-[4-[4-[2-[(3R)-6,6,6-trifluoro-1-(oxan-4-ylamino)-1-oxohexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]hexanamide
CID 90469526
N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]-2-methylpropyl]-3-methylimidazol-4-yl]phenyl]phenyl]-1-methylimidazol-2-yl]-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 117815709
N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]-2-methylpropyl]-3-methylimidazol-4-yl]phenyl]phenyl]-1-methylimidazol-2-yl]-2-methylpropyl]-4-fluoro-4-methylcyclohexane-1-carboxamide
CID 117828037
N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]-2,2-dimethylpropyl]-3-methylimidazol-4-yl]phenyl]phenyl]-1-methylimidazol-2-yl]-2,2-dimethylpropyl]-4-fluoro-4-methylcyclohexane-1-carboxamide
CID 118459877
N-[2-[[[[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methyl]-[(4-fluoropyrrolidin-3-yl)methyl]carbamoyl]amino]propyl]-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
CID 123584098
N-[1-[5-[4-[4-[2-[1-[(4,4-difluorocyclohexanecarbonyl)amino]-2-methylpropyl]-3-methylimidazol-4-yl]phenyl]phenyl]-1-methylimidazol-2-yl]-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 123599410
6,6,6-trifluoro-N-(oxan-4-yl)-3-[5-[4-[4-[2-[6,6,6-trifluoro-1-(oxan-4-ylamino)-1-oxohexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]hexanamide
CID 123706966

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine?
The IUPAC name of 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine (CID 157123322) is 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine.
What is the SMILES notation for 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine?
The canonical SMILES for 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine is COC1CCC(CC(=O)N2CCC(n3cnc(-c4ccc(C)cc4)c3)CC2)CC1.COC1CCC(CC(C)=O)CC1.Cc1ccc(-c2cn(C3CCNCC3)cn2)cc1.
What is the InChIKey of 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine?
The InChIKey is AIFPKIWHJVLPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2.C15H19N3.C10H18O2/c1-18-3-7-20(8-4-18)23-16-27(17-25-23)21-11-13-26(14-12-21)24(28)15-19-5-9-22(29-2)10-6-19;1-12-2-4-13(5-3-12)15-10-18(11-17-15)14-6-8-16-9-7-14;1-8(11)7-9-3-5-10(12-2)6-4-9/h3-4,7-8,16-17,19,21-22H,5-6,9-15H2,1-2H3;2-5,10-11,14,16H,6-9H2,1H3;9-10H,3-7H2,1-2H3.
What are the key properties of 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine?
2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine has a molecular weight of 807.14 g/mol, XLogP of 9.57, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)-1-[4-[4-(4-methylphenyl)imidazol-1-yl]piperidin-1-yl]ethanone;1-(4-methoxycyclohexyl)propan-2-one;4-[4-(4-methylphenyl)imidazol-1-yl]piperidine is sourced from PubChem (CID 157123322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).