1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C16H19Cl2N3O2 — CID 113191047

IUPAC1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(c3cc(Cl)ccc3Cl)C2)CC1
InChIInChI=1S/C16H19Cl2N3O2/c1-19-4-6-20(7-5-19)16(23)11-8-15(22)21(10-11)14-9-12(17)2-3-13(14)18/h2-3,9,11H,4-8,10H2,1H3
InChIKeyYKSXLNBJBULXIR-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.12
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 113191047) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID113191047
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(c3cc(Cl)ccc3Cl)C2)CC1
InChIInChI=1S/C16H19Cl2N3O2/c1-19-4-6-20(7-5-19)16(23)11-8-15(22)21(10-11)14-9-12(17)2-3-13(14)18/h2-3,9,11H,4-8,10H2,1H3
InChIKeyYKSXLNBJBULXIR-UHFFFAOYSA-N
XLogP2.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one
CID 113191077
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
1-(5-chloro-2-methylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113187589
ethyl 1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873791
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
1-(4-chloro-2-methylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113187702
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
1-(2-chlorophenyl)-4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86958384
1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55330307
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 113191047) is 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is CN1CCN(C(=O)C2CC(=O)N(c3cc(Cl)ccc3Cl)C2)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is YKSXLNBJBULXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-19-4-6-20(7-5-19)16(23)11-8-15(22)21(10-11)14-9-12(17)2-3-13(14)18/h2-3,9,11H,4-8,10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 356.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113191047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).