1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride

C14H22ClF2N5O3S — CID 120712917

IUPAC1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1
InChIInChI=1S/C14H21F2N5O3S.ClH/c15-13(16)10-19-9-12(6-18-19)25(23,24)20-4-1-2-11(8-20)21-5-3-17-7-14(21)22;/h6,9,11,13,17H,1-5,7-8,10H2;1H
InChIKeyGWDNMTQHBGWYQL-UHFFFAOYSA-N
MW413.88 g/mol
LogP0.15
Rot. Bonds5

About 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride

1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride (PubChem CID 120712917) has the molecular formula C14H22ClF2N5O3S and a molecular weight of 413.88 g/mol. Its IUPAC name is 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
PubChem CID120712917
Molecular FormulaC14H22ClF2N5O3S
Molecular Weight413.88 g/mol
Exact Mass413.11
IUPAC Name1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1C1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1
InChIInChI=1S/C14H21F2N5O3S.ClH/c15-13(16)10-19-9-12(6-18-19)25(23,24)20-4-1-2-11(8-20)21-5-3-17-7-14(21)22;/h6,9,11,13,17H,1-5,7-8,10H2;1H
InChIKeyGWDNMTQHBGWYQL-UHFFFAOYSA-N
XLogP0.15
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride with MolForge

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Related Compounds

1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712913
1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one
CID 124880693
1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712891
1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 126785320
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 120712898
1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one
CID 136561193
1-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712921
1-(2,2-difluoroethyl)-N-piperidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707191
methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 120875719
1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707652
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)pyrazol-1-yl]-N-methylethanamine
CID 79936069
2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43511219

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride (CID 120712917) is 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1C1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)C1.
What is the InChIKey of 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The InChIKey is GWDNMTQHBGWYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O3S.ClH/c15-13(16)10-19-9-12(6-18-19)25(23,24)20-4-1-2-11(8-20)21-5-3-17-7-14(21)22;/h6,9,11,13,17H,1-5,7-8,10H2;1H.
What are the key properties of 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride has a molecular weight of 413.88 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 120712917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).