(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide

C32H41FN4O — CID 124916392

IUPAC(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
SMILESO=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H41FN4O/c33-25-17-19-28(20-18-25)37-30-16-8-7-15-29(30)34-31(37)23-35-21-9-10-24(22-35)32(38)36(26-11-3-1-4-12-26)27-13-5-2-6-14-27/h7-8,15-20,24,26-27H,1-6,9-14,21-23H2/t24-/m0/s1
InChIKeyDOJBBNACGFYIFK-DEOSSOPVSA-N
MW516.71 g/mol
LogP6.87
Rot. Bonds6

About (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide

(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 124916392) has the molecular formula C32H41FN4O and a molecular weight of 516.71 g/mol. Its IUPAC name is (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID124916392
Molecular FormulaC32H41FN4O
Molecular Weight516.71 g/mol
Exact Mass516.33
IUPAC Name(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
SMILESO=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H41FN4O/c33-25-17-19-28(20-18-25)37-30-16-8-7-15-29(30)34-31(37)23-35-21-9-10-24(22-35)32(38)36(26-11-3-1-4-12-26)27-13-5-2-6-14-27/h7-8,15-20,24,26-27H,1-6,9-14,21-23H2/t24-/m0/s1
InChIKeyDOJBBNACGFYIFK-DEOSSOPVSA-N
XLogP6.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.71
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide 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-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dicyclohexylpiperidine-3-carboxamide
CID 124795278
(3R)-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124824164
(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124808449
(3S)-N-butyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124810168
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 124786185
(3S)-N-(4-chlorophenyl)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124785999
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 124824680
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
(3R)-N-(3-chloro-4-fluorophenyl)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124781343
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124794977
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124783119
(3S)-N-(3-chloro-4-fluorophenyl)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124781342

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide (CID 124916392) is (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide is O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is DOJBBNACGFYIFK-DEOSSOPVSA-N. The full InChI is InChI=1S/C32H41FN4O/c33-25-17-19-28(20-18-25)37-30-16-8-7-15-29(30)34-31(37)23-35-21-9-10-24(22-35)32(38)36(26-11-3-1-4-12-26)27-13-5-2-6-14-27/h7-8,15-20,24,26-27H,1-6,9-14,21-23H2/t24-/m0/s1.
What are the key properties of (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide?
(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 516.71 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124916392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).