1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one

C18H27N3O3S — CID 126785320

IUPAC1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
SMILESCC(C)c1ccccc1S(=O)(=O)N1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C18H27N3O3S/c1-14(2)16-7-3-4-8-17(16)25(23,24)20-10-5-6-15(13-20)21-11-9-19-12-18(21)22/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyHEODOJRTMBHAKS-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.39
Rot. Bonds4

About 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one

1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one (PubChem CID 126785320) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
PubChem CID126785320
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
SMILESCC(C)c1ccccc1S(=O)(=O)N1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C18H27N3O3S/c1-14(2)16-7-3-4-8-17(16)25(23,24)20-10-5-6-15(13-20)21-11-9-19-12-18(21)22/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyHEODOJRTMBHAKS-UHFFFAOYSA-N
XLogP1.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712891
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-(2-propan-2-ylphenyl)sulfonylpyrrolidine
CID 20754489
1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one
CID 124880693
1-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712921
1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712913
1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one
CID 136561193
1-[1-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712917
methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 120875719
1-[1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]azepane
CID 86900577
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one
CID 120983046

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one (CID 126785320) is 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one is CC(C)c1ccccc1S(=O)(=O)N1CCCC(N2CCNCC2=O)C1.
What is the InChIKey of 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one?
The InChIKey is HEODOJRTMBHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14(2)16-7-3-4-8-17(16)25(23,24)20-10-5-6-15(13-20)21-11-9-19-12-18(21)22/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3.
What are the key properties of 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one?
1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one has a molecular weight of 365.50 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 126785320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).