(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide

C22H26N4O2 — CID 125123416

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1
InChIInChI=1S/C22H26N4O2/c1-25-19-8-4-3-7-18(19)24-21(25)20-9-5-6-14-26(20)22(27)23-15-16-10-12-17(28-2)13-11-16/h3-4,7-8,10-13,20H,5-6,9,14-15H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyAPVKUAMGVARNQT-FQEVSTJZSA-N
MW378.48 g/mol
LogP4.02
Rot. Bonds4

About (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide

(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 125123416) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
PubChem CID125123416
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1
InChIInChI=1S/C22H26N4O2/c1-25-19-8-4-3-7-18(19)24-21(25)20-9-5-6-14-26(20)22(27)23-15-16-10-12-17(28-2)13-11-16/h3-4,7-8,10-13,20H,5-6,9,14-15H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyAPVKUAMGVARNQT-FQEVSTJZSA-N
XLogP4.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 87052145
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 86880650
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 87052104
(3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746448
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785
1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94640388
methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 71937675

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide (CID 125123416) is (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is APVKUAMGVARNQT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-19-8-4-3-7-18(19)24-21(25)20-9-5-6-14-26(20)22(27)23-15-16-10-12-17(28-2)13-11-16/h3-4,7-8,10-13,20H,5-6,9,14-15H2,1-2H3,(H,23,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide?
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125123416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).