1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide

C22H25ClN4O — CID 92876497

IUPAC1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide
SMILESC[C@H](CNC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C22H25ClN4O/c1-15(16-5-3-2-4-6-16)14-24-21(28)17-9-11-27(12-10-17)22-25-19-8-7-18(23)13-20(19)26-22/h2-8,13,15,17H,9-12,14H2,1H3,(H,24,28)(H,25,26)/t15-/m1/s1
InChIKeyIISNGZRYNBIUMD-OAHLLOKOSA-N
MW396.92 g/mol
LogP4.35
Rot. Bonds5

About 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide

1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide (PubChem CID 92876497) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide
PubChem CID92876497
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide
SMILESC[C@H](CNC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C22H25ClN4O/c1-15(16-5-3-2-4-6-16)14-24-21(28)17-9-11-27(12-10-17)22-25-19-8-7-18(23)13-20(19)26-22/h2-8,13,15,17H,9-12,14H2,1H3,(H,24,28)(H,25,26)/t15-/m1/s1
InChIKeyIISNGZRYNBIUMD-OAHLLOKOSA-N
XLogP4.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-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

1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 46359054
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46359077
1-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 46259508
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92876600
1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide
CID 122176159
1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 46359001
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886909
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
CID 67033846
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92876642
1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20892961

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide (CID 92876497) is 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide is C[C@H](CNC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1)c1ccccc1.
What is the InChIKey of 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide?
The InChIKey is IISNGZRYNBIUMD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-15(16-5-3-2-4-6-16)14-24-21(28)17-9-11-27(12-10-17)22-25-19-8-7-18(23)13-20(19)26-22/h2-8,13,15,17H,9-12,14H2,1H3,(H,24,28)(H,25,26)/t15-/m1/s1.
What are the key properties of 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide?
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 92876497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).