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

C19H26N4O5S — CID 39977453

IUPAC4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1
InChIInChI=1S/C19H26N4O5S/c1-14(2)18(25)21-8-10-22(11-9-21)19(26)15-4-3-5-16(12-15)29(27,28)23-7-6-20-17(24)13-23/h3-5,12,14H,6-11,13H2,1-2H3,(H,20,24)
InChIKeyDMSQYZCFCSLIAM-UHFFFAOYSA-N
MW422.51 g/mol
LogP-0.25
Rot. Bonds4

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

4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one (PubChem CID 39977453) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
PubChem CID39977453
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC Name4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1
InChIInChI=1S/C19H26N4O5S/c1-14(2)18(25)21-8-10-22(11-9-21)19(26)15-4-3-5-16(12-15)29(27,28)23-7-6-20-17(24)13-23/h3-5,12,14H,6-11,13H2,1-2H3,(H,20,24)
InChIKeyDMSQYZCFCSLIAM-UHFFFAOYSA-N
XLogP-0.25
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119418489
4-[3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 55753901
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 37355621
4-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 120815087
4-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 119469574
4-[3-[(2R)-2-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 97013377
(4-methoxyphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 30783557
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
N-[(2R)-2-(ethylamino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 120653983
4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one
CID 43106971
N-(7-methyloctyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 36619157

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one (CID 39977453) is 4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one is CC(C)C(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1.
What is the InChIKey of 4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The InChIKey is DMSQYZCFCSLIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-14(2)18(25)21-8-10-22(11-9-21)19(26)15-4-3-5-16(12-15)29(27,28)23-7-6-20-17(24)13-23/h3-5,12,14H,6-11,13H2,1-2H3,(H,20,24).
What are the key properties of 4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one has a molecular weight of 422.51 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 39977453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).