(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide

C22H26N4O — CID 92876810

IUPAC(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C22H26N4O/c1-2-16-9-11-17(12-10-16)14-23-21(27)18-6-5-13-26(15-18)22-24-19-7-3-4-8-20(19)25-22/h3-4,7-12,18H,2,5-6,13-15H2,1H3,(H,23,27)(H,24,25)/t18-/m1/s1
InChIKeyQDFNFGSULAOBTK-GOSISDBHSA-N
MW362.48 g/mol
LogP3.66
Rot. Bonds5

About (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92876810) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92876810
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C22H26N4O/c1-2-16-9-11-17(12-10-16)14-23-21(27)18-6-5-13-26(15-18)22-24-19-7-3-4-8-20(19)25-22/h3-4,7-12,18H,2,5-6,13-15H2,1H3,(H,23,27)(H,24,25)/t18-/m1/s1
InChIKeyQDFNFGSULAOBTK-GOSISDBHSA-N
XLogP3.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
(3R)-1-(1H-benzimidazol-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 92876734
(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30453509
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 140931154
1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 6620261
N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070417
(3S)-1-(1H-benzimidazol-2-yl)-N-(3-cyclohexylsulfanylpropyl)piperidine-3-carboxamide
CID 92716100
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92876558

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (CID 92876810) is (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QDFNFGSULAOBTK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-16-9-11-17(12-10-16)14-23-21(27)18-6-5-13-26(15-18)22-24-19-7-3-4-8-20(19)25-22/h3-4,7-12,18H,2,5-6,13-15H2,1H3,(H,23,27)(H,24,25)/t18-/m1/s1.
What are the key properties of (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92876810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).