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

C21H28N4O6S — CID 37355621

IUPAC4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2)CCN1
InChIInChI=1S/C21H28N4O6S/c26-19-15-25(9-6-22-19)32(29,30)18-3-1-2-17(14-18)21(28)23-7-4-16(5-8-23)20(27)24-10-12-31-13-11-24/h1-3,14,16H,4-13,15H2,(H,22,26)
InChIKeyGCWNZPFPEBQWQU-UHFFFAOYSA-N
MW464.54 g/mol
LogP-0.48
Rot. Bonds4

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

4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one (PubChem CID 37355621) has the molecular formula C21H28N4O6S and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
PubChem CID37355621
Molecular FormulaC21H28N4O6S
Molecular Weight464.54 g/mol
Exact Mass464.17
IUPAC Name4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2)CCN1
InChIInChI=1S/C21H28N4O6S/c26-19-15-25(9-6-22-19)32(29,30)18-3-1-2-17(14-18)21(28)23-7-4-16(5-8-23)20(27)24-10-12-31-13-11-24/h1-3,14,16H,4-13,15H2,(H,22,26)
InChIKeyGCWNZPFPEBQWQU-UHFFFAOYSA-N
XLogP-0.48
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one with MolForge

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Related Compounds

4-[3-(1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119418489
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 39977453
4-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120815087
4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 42949393
4-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 119469574
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 55753901
[3-[[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 72879903
4-[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 167802193
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 46585758

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one (CID 37355621) is 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2)CCN1.
What is the InChIKey of 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The InChIKey is GCWNZPFPEBQWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O6S/c26-19-15-25(9-6-22-19)32(29,30)18-3-1-2-17(14-18)21(28)23-7-4-16(5-8-23)20(27)24-10-12-31-13-11-24/h1-3,14,16H,4-13,15H2,(H,22,26).
What are the key properties of 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one has a molecular weight of 464.54 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 37355621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).