1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide

C18H23N5O4S — CID 19410656

IUPAC1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H23N5O4S/c1-19-18(25)16-15(12-22(2)21-16)20-17(24)13-8-10-23(11-9-13)28(26,27)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyNDWXDPLDKUVHOK-UHFFFAOYSA-N
MW405.48 g/mol
LogP0.82
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 19410656) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID19410656
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H23N5O4S/c1-19-18(25)16-15(12-22(2)21-16)20-17(24)13-8-10-23(11-9-13)28(26,27)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyNDWXDPLDKUVHOK-UHFFFAOYSA-N
XLogP0.82
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 19402676
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide
CID 6498124
1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 31288840
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
1-(benzenesulfonyl)-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 26242729
1-(benzenesulfonyl)-N-(4-methyl-2-nitrophenyl)piperidine-4-carboxamide
CID 8815408
1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 46461883
1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide
CID 4656098
(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide (CID 19410656) is 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is NDWXDPLDKUVHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-19-18(25)16-15(12-22(2)21-16)20-17(24)13-8-10-23(11-9-13)28(26,27)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,25)(H,20,24).
What are the key properties of 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 19410656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).