4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one

C18H25N3O5S — CID 48689877

IUPAC4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one
SMILESCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC(C)(C)O1
InChIInChI=1S/C18H25N3O5S/c1-13-10-20(12-18(2,3)26-13)17(23)14-4-6-15(7-5-14)27(24,25)21-9-8-19-16(22)11-21/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChIKeyJMZJDPSTMYSUJO-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.45
Rot. Bonds3

About 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one

4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one (PubChem CID 48689877) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one
PubChem CID48689877
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one
SMILESCC1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC(C)(C)O1
InChIInChI=1S/C18H25N3O5S/c1-13-10-20(12-18(2,3)26-13)17(23)14-4-6-15(7-5-14)27(24,25)21-9-8-19-16(22)11-21/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChIKeyJMZJDPSTMYSUJO-UHFFFAOYSA-N
XLogP0.45
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119578328
4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120820086
4-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120810082
4-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 139000610
(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432382
[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129366969
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48690592
4-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 119467777
2-methyl-2-[methyl-[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]propanoic acid
CID 119200443
4-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120815087

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one (CID 48689877) is 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one is CC1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC(C)(C)O1.
What is the InChIKey of 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one?
The InChIKey is JMZJDPSTMYSUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-13-10-20(12-18(2,3)26-13)17(23)14-4-6-15(7-5-14)27(24,25)21-9-8-19-16(22)11-21/h4-7,13H,8-12H2,1-3H3,(H,19,22).
What are the key properties of 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one?
4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one has a molecular weight of 395.48 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 48689877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).