N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C17H23ClN4O3S — CID 120924924

IUPACN-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCS(=O)(=O)c1ccccc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H22N4O3S.ClH/c22-16(17(7-10-18-11-8-17)21-13-4-9-20-21)19-12-14-25(23,24)15-5-2-1-3-6-15;/h1-6,9,13,18H,7-8,10-12,14H2,(H,19,22);1H
InChIKeyQPKLIVZTCGDUSA-UHFFFAOYSA-N
MW398.92 g/mol
LogP0.97
Rot. Bonds6

About N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120924924) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120924924
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCS(=O)(=O)c1ccccc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H22N4O3S.ClH/c22-16(17(7-10-18-11-8-17)21-13-4-9-20-21)19-12-14-25(23,24)15-5-2-1-3-6-15;/h1-6,9,13,18H,7-8,10-12,14H2,(H,19,22);1H
InChIKeyQPKLIVZTCGDUSA-UHFFFAOYSA-N
XLogP0.97
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921380
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918387
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939140
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919956
N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120924924) is N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NCCS(=O)(=O)c1ccccc1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QPKLIVZTCGDUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S.ClH/c22-16(17(7-10-18-11-8-17)21-13-4-9-20-21)19-12-14-25(23,24)15-5-2-1-3-6-15;/h1-6,9,13,18H,7-8,10-12,14H2,(H,19,22);1H.
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 398.92 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120924924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).