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

C16H22N4O4S — CID 119578328

IUPAC4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
SMILESCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCN1
InChIInChI=1S/C16H22N4O4S/c1-12-10-19(8-6-17-12)16(22)13-2-4-14(5-3-13)25(23,24)20-9-7-18-15(21)11-20/h2-5,12,17H,6-11H2,1H3,(H,18,21)
InChIKeyGSOYDSLELISJJF-UHFFFAOYSA-N
MW366.44 g/mol
LogP-0.76
Rot. Bonds3

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

4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one (PubChem CID 119578328) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
PubChem CID119578328
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
SMILESCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCN1
InChIInChI=1S/C16H22N4O4S/c1-12-10-19(8-6-17-12)16(22)13-2-4-14(5-3-13)25(23,24)20-9-7-18-15(21)11-20/h2-5,12,17H,6-11H2,1H3,(H,18,21)
InChIKeyGSOYDSLELISJJF-UHFFFAOYSA-N
XLogP-0.76
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 48689877
4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120820086
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
4-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120810082
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 139000610
4-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 119467777
N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide
CID 120710435
[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576498
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119578076
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one (CID 119578328) is 4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one is CC1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCN1.
What is the InChIKey of 4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one?
The InChIKey is GSOYDSLELISJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-12-10-19(8-6-17-12)16(22)13-2-4-14(5-3-13)25(23,24)20-9-7-18-15(21)11-20/h2-5,12,17H,6-11H2,1H3,(H,18,21).
What are the key properties of 4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one?
4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one has a molecular weight of 366.44 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 119578328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).