(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C21H24N4O — CID 92876805

IUPAC(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H24N4O/c1-15-7-2-3-8-16(15)13-22-20(26)17-9-6-12-25(14-17)21-23-18-10-4-5-11-19(18)24-21/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyBTOQJTQCBDQELJ-KRWDZBQOSA-N
MW348.45 g/mol
LogP3.40
Rot. Bonds4

About (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92876805) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92876805
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H24N4O/c1-15-7-2-3-8-16(15)13-22-20(26)17-9-6-12-25(14-17)21-23-18-10-4-5-11-19(18)24-21/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyBTOQJTQCBDQELJ-KRWDZBQOSA-N
XLogP3.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876557
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
(3R)-1-(1H-benzimidazol-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 92876734
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876862
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53070339
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 46359100
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 140931154
(3S)-1-(1H-benzimidazol-2-yl)-N-(3-cyclohexylsulfanylpropyl)piperidine-3-carboxamide
CID 92716100
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876918

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 92876805) is (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BTOQJTQCBDQELJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-7-2-3-8-16(15)13-22-20(26)17-9-6-12-25(14-17)21-23-18-10-4-5-11-19(18)24-21/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,26)(H,23,24)/t17-/m0/s1.
What are the key properties of (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92876805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).