1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide

C16H20N4O4S — CID 5307461

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H20N4O4S/c1-24-14-7-3-2-6-13(14)19-16(21)12-5-4-8-20(10-12)25(22,23)15-9-17-11-18-15/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,17,18)(H,19,21)
InChIKeyJFTVNEHHRCYIFE-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.46
Rot. Bonds5

About 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 5307461) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
PubChem CID5307461
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C16H20N4O4S/c1-24-14-7-3-2-6-13(14)19-16(21)12-5-4-8-20(10-12)25(22,23)15-9-17-11-18-15/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,17,18)(H,19,21)
InChIKeyJFTVNEHHRCYIFE-UHFFFAOYSA-N
XLogP1.46
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~-(2,5-diethoxyphenyl)-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 3236865
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4878953
1-(1H-imidazol-5-ylsulfonyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-3-carboxamide
CID 5307441
N-(3,5-dimethoxyphenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5307984
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308794
1-(1H-imidazol-5-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 5309093
[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 5309632
1-(1H-imidazol-5-ylsulfonyl)-4-(2-methoxyphenyl)piperazine
CID 5309722
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 9551091
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide
CID 10808841
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 16020407
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-p-phenetyl-acetamide
CID 16011827

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide (CID 5307461) is 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide is COc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is JFTVNEHHRCYIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-24-14-7-3-2-6-13(14)19-16(21)12-5-4-8-20(10-12)25(22,23)15-9-17-11-18-15/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 5307461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).