(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide

C22H26N4O2 — CID 92876862

IUPAC(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C22H26N4O2/c1-15-9-10-18-19(12-15)25-22(24-18)26-11-5-7-17(14-26)21(27)23-13-16-6-3-4-8-20(16)28-2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3,(H,23,27)(H,24,25)/t17-/m1/s1
InChIKeyDUBVIWRQPPATNV-QGZVFWFLSA-N
MW378.48 g/mol
LogP3.41
Rot. Bonds5

About (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide

(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 92876862) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID92876862
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C22H26N4O2/c1-15-9-10-18-19(12-15)25-22(24-18)26-11-5-7-17(14-26)21(27)23-13-16-6-3-4-8-20(16)28-2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3,(H,23,27)(H,24,25)/t17-/m1/s1
InChIKeyDUBVIWRQPPATNV-QGZVFWFLSA-N
XLogP3.41
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876918
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876919
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 46359100
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876835
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876557
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92876841
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
(3R)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 92876876
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92876891
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
CID 92876925

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide (CID 92876862) is (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide is COc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccc(C)cc3[nH]2)C1.
What is the InChIKey of (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is DUBVIWRQPPATNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-9-10-18-19(12-15)25-22(24-18)26-11-5-7-17(14-26)21(27)23-13-16-6-3-4-8-20(16)28-2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3,(H,23,27)(H,24,25)/t17-/m1/s1.
What are the key properties of (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide?
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92876862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).