1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide

C17H22N4O4S — CID 18092782

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccn(C)n3)C2)cc1
InChIInChI=1S/C17H22N4O4S/c1-20-11-9-16(19-20)18-17(22)13-4-3-10-21(12-13)26(23,24)15-7-5-14(25-2)6-8-15/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,18,19,22)
InChIKeyIMHKLPNXQVKNSH-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.47
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 18092782) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
PubChem CID18092782
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccn(C)n3)C2)cc1
InChIInChI=1S/C17H22N4O4S/c1-20-11-9-16(19-20)18-17(22)13-4-3-10-21(12-13)26(23,24)15-7-5-14(25-2)6-8-15/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,18,19,22)
InChIKeyIMHKLPNXQVKNSH-UHFFFAOYSA-N
XLogP1.47
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 51238050
(3S)-N-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 42109687
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
(3S)-N-(2,6-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302135
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 32622470
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide (CID 18092782) is 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccn(C)n3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is IMHKLPNXQVKNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-20-11-9-16(19-20)18-17(22)13-4-3-10-21(12-13)26(23,24)15-7-5-14(25-2)6-8-15/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,18,19,22).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 18092782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).