4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one

C23H27N3O4S — CID 139000610

IUPAC4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
SMILESCC1(c2ccccc2)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1
InChIInChI=1S/C23H27N3O4S/c1-23(19-6-3-2-4-7-19)12-5-14-25(17-23)22(28)18-8-10-20(11-9-18)31(29,30)26-15-13-24-21(27)16-26/h2-4,6-11H,5,12-17H2,1H3,(H,24,27)
InChIKeyKUFKTBWEQUGLEX-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.00
Rot. Bonds4

About 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one

4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one (PubChem CID 139000610) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
PubChem CID139000610
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
SMILESCC1(c2ccccc2)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1
InChIInChI=1S/C23H27N3O4S/c1-23(19-6-3-2-4-7-19)12-5-14-25(17-23)22(28)18-8-10-20(11-9-18)31(29,30)26-15-13-24-21(27)16-26/h2-4,6-11H,5,12-17H2,1H3,(H,24,27)
InChIKeyKUFKTBWEQUGLEX-UHFFFAOYSA-N
XLogP2.00
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120810082
4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120820086
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879
4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 48689877
4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119578328
4-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 119467777
4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
CID 75474370
4-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120815087
N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31983039
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
4-[3-(1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119418489

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one (CID 139000610) is 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one is CC1(c2ccccc2)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1.
What is the InChIKey of 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one?
The InChIKey is KUFKTBWEQUGLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-23(19-6-3-2-4-7-19)12-5-14-25(17-23)22(28)18-8-10-20(11-9-18)31(29,30)26-15-13-24-21(27)16-26/h2-4,6-11H,5,12-17H2,1H3,(H,24,27).
What are the key properties of 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one?
4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one has a molecular weight of 441.55 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 139000610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).