1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C18H24N4O3S — CID 31845783

IUPAC1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-20(13-15-12-19-21(2)14-15)18(23)16-8-10-22(11-9-16)26(24,25)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3
InChIKeyQLNJSKNZUUMRMK-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.48
Rot. Bonds5

About 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 31845783) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID31845783
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-20(13-15-12-19-21(2)14-15)18(23)16-8-10-22(11-9-16)26(24,25)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3
InChIKeyQLNJSKNZUUMRMK-UHFFFAOYSA-N
XLogP1.48
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-(phenylsulfonyl)piperazin-1-yl)-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propan-1-one
CID 6499825
US10617680, Example 127
CID 135355360
N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31844345
N-(2,4-difluorobenzyl)-1-ethyl-3-((4-methylpiperidin-1-yl)sulfonyl)-1H-pyrazole-4-carboxamide
CID 49663570
1-(1-Benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 51099645
N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 51103233
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 51130913
4-[2-Oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 53564799
N-{[1-(2-fluorobenzoyl)piperidin-4-yl]methyl}-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806888
N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 71737622
1-benzyl-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6464932
1-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)-2-(4-(isopropylsulfonyl)phenyl)ethanone
CID 52906654

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 31845783) is 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QLNJSKNZUUMRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-20(13-15-12-19-21(2)14-15)18(23)16-8-10-22(11-9-16)26(24,25)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 31845783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).