2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

C15H22ClFN2O3S — CID 119492871

IUPAC2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)S(=O)(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C15H21FN2O3S.ClH/c1-11(15(19)18-9-3-4-13(10-18)17-2)22(20,21)14-7-5-12(16)6-8-14;/h5-8,11,13,17H,3-4,9-10H2,1-2H3;1H
InChIKeyCVPYSCQXXUNSHK-UHFFFAOYSA-N
MW364.87 g/mol
LogP1.62
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119492871) has the molecular formula C15H22ClFN2O3S and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119492871
Molecular FormulaC15H22ClFN2O3S
Molecular Weight364.87 g/mol
Exact Mass364.10
IUPAC Name2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)S(=O)(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C15H21FN2O3S.ClH/c1-11(15(19)18-9-3-4-13(10-18)17-2)22(20,21)14-7-5-12(16)6-8-14;/h5-8,11,13,17H,3-4,9-10H2,1-2H3;1H
InChIKeyCVPYSCQXXUNSHK-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
CID 125147539
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
4-fluoro-N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119490050
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
1-(3-fluorophenyl)-3-[[1-[2-(4-fluorophenyl)sulfonylpropanoyl]piperidin-3-yl]methyl]urea
CID 51134754
1-(3-fluorophenyl)-3-[[(3R)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidin-3-yl]methyl]urea
CID 52522857
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488820
2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488190
3-(4-fluorophenyl)sulfonyl-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396399
2-(2,5-difluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119490122
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493131

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 119492871) is 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is CNC1CCCN(C(=O)C(C)S(=O)(=O)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is CVPYSCQXXUNSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S.ClH/c1-11(15(19)18-9-3-4-13(10-18)17-2)22(20,21)14-7-5-12(16)6-8-14;/h5-8,11,13,17H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119492871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).