1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

C21H30N4O4S — CID 43058046

IUPAC1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCc1cccc(N2CC(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)CC2=O)c1
InChIInChI=1S/C21H30N4O4S/c1-2-17-6-5-7-19(14-17)25-16-18(15-20(25)26)21(27)22-10-12-24(13-11-22)30(28,29)23-8-3-4-9-23/h5-7,14,18H,2-4,8-13,15-16H2,1H3
InChIKeyOAASIDPNSACQCD-UHFFFAOYSA-N
MW434.56 g/mol
LogP1.09
Rot. Bonds5

About 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 43058046) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID43058046
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC Name1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCc1cccc(N2CC(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)CC2=O)c1
InChIInChI=1S/C21H30N4O4S/c1-2-17-6-5-7-19(14-17)25-16-18(15-20(25)26)21(27)22-10-12-24(13-11-22)30(28,29)23-8-3-4-9-23/h5-7,14,18H,2-4,8-13,15-16H2,1H3
InChIKeyOAASIDPNSACQCD-UHFFFAOYSA-N
XLogP1.09
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29134624
4-(4-methylsulfonylpiperazine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 42650720
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872
(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42582568
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368
1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 43053907
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-(3-methoxyphenyl)-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42652474

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 43058046) is 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is CCc1cccc(N2CC(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)CC2=O)c1.
What is the InChIKey of 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OAASIDPNSACQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-2-17-6-5-7-19(14-17)25-16-18(15-20(25)26)21(27)22-10-12-24(13-11-22)30(28,29)23-8-3-4-9-23/h5-7,14,18H,2-4,8-13,15-16H2,1H3.
What are the key properties of 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 434.56 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 43058046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).