1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride

C16H23ClFN3O4S — CID 120712913

IUPAC1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCOc1cc(S(=O)(=O)N2CCCC(N3CCNCC3=O)C2)ccc1F.Cl
InChIInChI=1S/C16H22FN3O4S.ClH/c1-24-15-9-13(4-5-14(15)17)25(22,23)19-7-2-3-12(11-19)20-8-6-18-10-16(20)21;/h4-5,9,12,18H,2-3,6-8,10-11H2,1H3;1H
InChIKeySRGXWQPFXABBPD-UHFFFAOYSA-N
MW407.90 g/mol
LogP0.84
Rot. Bonds4

About 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride

1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride (PubChem CID 120712913) has the molecular formula C16H23ClFN3O4S and a molecular weight of 407.90 g/mol. Its IUPAC name is 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
PubChem CID120712913
Molecular FormulaC16H23ClFN3O4S
Molecular Weight407.90 g/mol
Exact Mass407.11
IUPAC Name1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
SMILESCOc1cc(S(=O)(=O)N2CCCC(N3CCNCC3=O)C2)ccc1F.Cl
InChIInChI=1S/C16H22FN3O4S.ClH/c1-24-15-9-13(4-5-14(15)17)25(22,23)19-7-2-3-12(11-19)20-8-6-18-10-16(20)21;/h4-5,9,12,18H,2-3,6-8,10-11H2,1H3;1H
InChIKeySRGXWQPFXABBPD-UHFFFAOYSA-N
XLogP0.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 120712898
3-methoxy-4-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 120875722
1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712891
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
1,4-bis[(4-fluoro-3-methoxyphenyl)sulfonyl]-1,4-diazepane
CID 22332516
1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712917
3-(4-fluoro-3-methoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120711818
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137
1-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712921
1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 126785320
methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 120875719
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride (CID 120712913) is 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride is COc1cc(S(=O)(=O)N2CCCC(N3CCNCC3=O)C2)ccc1F.Cl.
What is the InChIKey of 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
The InChIKey is SRGXWQPFXABBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4S.ClH/c1-24-15-9-13(4-5-14(15)17)25(22,23)19-7-2-3-12(11-19)20-8-6-18-10-16(20)21;/h4-5,9,12,18H,2-3,6-8,10-11H2,1H3;1H.
What are the key properties of 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride?
1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 120712913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).