1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide

C19H26N4O3S — CID 154840231

IUPAC1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCc1cc(CC(C)NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C19H26N4O3S/c1-14(12-16-13-15(2)21-22-16)20-19(24)18-10-6-7-11-23(18)27(25,26)17-8-4-3-5-9-17/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyGUTKKIASHAVPGA-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.01
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 154840231) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide
PubChem CID154840231
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCc1cc(CC(C)NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C19H26N4O3S/c1-14(12-16-13-15(2)21-22-16)20-19(24)18-10-6-7-11-23(18)27(25,26)17-8-4-3-5-9-17/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyGUTKKIASHAVPGA-UHFFFAOYSA-N
XLogP2.01
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
CID 60573630
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 55334760
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
(2S)-N-[(2S)-1-amino-3-(2-methylphenyl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)piperidine-2-carboxamide
CID 59428659
1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120652440
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
(2S)-1-(benzenesulfonyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 30837322
1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 46651644
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide (CID 154840231) is 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide is Cc1cc(CC(C)NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)n[nH]1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is GUTKKIASHAVPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14(12-16-13-15(2)21-22-16)20-19(24)18-10-6-7-11-23(18)27(25,26)17-8-4-3-5-9-17/h3-5,8-9,13-14,18H,6-7,10-12H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 154840231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).