2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide

C21H25N4O2+ — CID 7184265

IUPAC2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-17-10-8-16(9-11-17)22-20(26)14-25-12-4-5-15(13-25)21-23-18-6-2-3-7-19(18)24-21/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,22,26)(H,23,24)/p+1/t15-/m1/s1
InChIKeyDTGILRIGVIAUKW-OAHLLOKOSA-O
MW365.46 g/mol
LogP1.97
Rot. Bonds5

About 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide

2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 7184265) has the molecular formula C21H25N4O2+ and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID7184265
Molecular FormulaC21H25N4O2+
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-17-10-8-16(9-11-17)22-20(26)14-25-12-4-5-15(13-25)21-23-18-6-2-3-7-19(18)24-21/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,22,26)(H,23,24)/p+1/t15-/m1/s1
InChIKeyDTGILRIGVIAUKW-OAHLLOKOSA-O
XLogP1.97
TPSA71.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 7184249
2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7184363
2-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole
CID 7184333
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 6986257
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
3-(1H-benzimidazol-2-yl)-N-(4-butoxyphenyl)azetidine-1-carboxamide
CID 90505848
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide (CID 7184265) is 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[NH+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is DTGILRIGVIAUKW-OAHLLOKOSA-O. The full InChI is InChI=1S/C21H24N4O2/c1-27-17-10-8-16(9-11-17)22-20(26)14-25-12-4-5-15(13-25)21-23-18-6-2-3-7-19(18)24-21/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,22,26)(H,23,24)/p+1/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7184265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).