1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide

C18H24N4O3S — CID 15999109

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1
InChIInChI=1S/C18H24N4O3S/c1-12-6-8-16(9-7-12)19-18(23)15-5-4-10-22(11-15)26(24,25)17-13(2)20-21-14(17)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyKKHNHNVIEOQQPG-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.37
Rot. Bonds4

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 15999109) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID15999109
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1
InChIInChI=1S/C18H24N4O3S/c1-12-6-8-16(9-7-12)19-18(23)15-5-4-10-22(11-15)26(24,25)17-13(2)20-21-14(17)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyKKHNHNVIEOQQPG-UHFFFAOYSA-N
XLogP2.37
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide (CID 15999109) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is KKHNHNVIEOQQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-12-6-8-16(9-7-12)19-18(23)15-5-4-10-22(11-15)26(24,25)17-13(2)20-21-14(17)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 15999109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).