(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide

C23H28N4O — CID 92876841

IUPAC(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCC[C@H](C(=O)NCCCc4ccccc4)C3)[nH]c2c1
InChIInChI=1S/C23H28N4O/c1-17-11-12-20-21(15-17)26-23(25-20)27-14-6-10-19(16-27)22(28)24-13-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1H3,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKeyCZPFFQDEYHXJPM-IBGZPJMESA-N
MW376.50 g/mol
LogP3.84
Rot. Bonds6

About (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide

(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 92876841) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID92876841
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCC[C@H](C(=O)NCCCc4ccccc4)C3)[nH]c2c1
InChIInChI=1S/C23H28N4O/c1-17-11-12-20-21(15-17)26-23(25-20)27-14-6-10-19(16-27)22(28)24-13-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1H3,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKeyCZPFFQDEYHXJPM-IBGZPJMESA-N
XLogP3.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-bromo-1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 46359098
(3R)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 92876876
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
CID 92876925
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92876520
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 46359288
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876835
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92876891
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876862
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-butylpiperidine-3-carboxamide
CID 92876535
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92876642
1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 140931154

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 92876841) is (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide is Cc1ccc2nc(N3CCC[C@H](C(=O)NCCCc4ccccc4)C3)[nH]c2c1.
What is the InChIKey of (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is CZPFFQDEYHXJPM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-11-12-20-21(15-17)26-23(25-20)27-14-6-10-19(16-27)22(28)24-13-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1H3,(H,24,28)(H,25,26)/t19-/m0/s1.
What are the key properties of (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 92876841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).