(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C21H25ClN4O2 — CID 120635454

IUPAC(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(-n2c(NC(=O)[C@H]3CCN[C@@H](C)C3)nc3ccccc32)c1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-14-12-15(10-11-22-14)20(26)24-21-23-18-8-3-4-9-19(18)25(21)16-6-5-7-17(13-16)27-2;/h3-9,13-15,22H,10-12H2,1-2H3,(H,23,24,26);1H/t14-,15-;/m0./s1
InChIKeyFJPSAAJJZJPUSD-YYLIZZNMSA-N
MW400.91 g/mol
LogP3.78
Rot. Bonds4

About (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120635454) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120635454
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(-n2c(NC(=O)[C@H]3CCN[C@@H](C)C3)nc3ccccc32)c1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-14-12-15(10-11-22-14)20(26)24-21-23-18-8-3-4-9-19(18)25(21)16-6-5-7-17(13-16)27-2;/h3-9,13-15,22H,10-12H2,1-2H3,(H,23,24,26);1H/t14-,15-;/m0./s1
InChIKeyFJPSAAJJZJPUSD-YYLIZZNMSA-N
XLogP3.78
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
CID 99811453
2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide
CID 167760893
N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119939723
3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119732171
(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617172
4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide
CID 120563260
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800355
(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636997
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794651
(2S,4S)-N-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640767
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
CID 119800349

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120635454) is (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1cccc(-n2c(NC(=O)[C@H]3CCN[C@@H](C)C3)nc3ccccc32)c1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FJPSAAJJZJPUSD-YYLIZZNMSA-N. The full InChI is InChI=1S/C21H24N4O2.ClH/c1-14-12-15(10-11-22-14)20(26)24-21-23-18-8-3-4-9-19(18)25(21)16-6-5-7-17(13-16)27-2;/h3-9,13-15,22H,10-12H2,1-2H3,(H,23,24,26);1H/t14-,15-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120635454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).