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

C22H25N3O5S — CID 42947283

IUPAC4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1
InChIInChI=1S/C22H25N3O5S/c1-30-18-9-7-16(8-10-18)20-6-3-12-25(20)22(27)17-4-2-5-19(14-17)31(28,29)24-13-11-23-21(26)15-24/h2,4-5,7-10,14,20H,3,6,11-13,15H2,1H3,(H,23,26)
InChIKeyHFERUWDRFYWWRJ-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.79
Rot. Bonds5

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

4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one (PubChem CID 42947283) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
PubChem CID42947283
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1
InChIInChI=1S/C22H25N3O5S/c1-30-18-9-7-16(8-10-18)20-6-3-12-25(20)22(27)17-4-2-5-19(14-17)31(28,29)24-13-11-23-21(26)15-24/h2,4-5,7-10,14,20H,3,6,11-13,15H2,1H3,(H,23,26)
InChIKeyHFERUWDRFYWWRJ-UHFFFAOYSA-N
XLogP1.79
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 30783557
3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46421177
3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 26666637
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9361971
4-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 119469574
1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 51299278
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 41296431
[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 25433626
4-[3-(1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119418489
[(2R)-2-(4-methoxyphenyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97120424
N-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 51152058
N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43043956

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one (CID 42947283) is 4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one is COc1ccc(C2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1.
What is the InChIKey of 4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
The InChIKey is HFERUWDRFYWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-30-18-9-7-16(8-10-18)20-6-3-12-25(20)22(27)17-4-2-5-19(14-17)31(28,29)24-13-11-23-21(26)15-24/h2,4-5,7-10,14,20H,3,6,11-13,15H2,1H3,(H,23,26).
What are the key properties of 4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one?
4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one has a molecular weight of 443.53 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 42947283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).