4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one

C23H26ClN3O2 — CID 46557552

IUPAC4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)c1C
InChIInChI=1S/C23H26ClN3O2/c1-16-6-5-9-20(17(16)2)27-15-18(14-22(27)28)23(29)26-12-10-25(11-13-26)21-8-4-3-7-19(21)24/h3-9,18H,10-15H2,1-2H3
InChIKeyNGMQURNBSNXKTH-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.66
Rot. Bonds3

About 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one

4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one (PubChem CID 46557552) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
PubChem CID46557552
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)c1C
InChIInChI=1S/C23H26ClN3O2/c1-16-6-5-9-20(17(16)2)27-15-18(14-22(27)28)23(29)26-12-10-25(11-13-26)21-8-4-3-7-19(21)24/h3-9,18H,10-15H2,1-2H3
InChIKeyNGMQURNBSNXKTH-UHFFFAOYSA-N
XLogP3.66
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
1-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119136682
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
1-(2,3-dimethylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42930463
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
1-tert-butyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17081187
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one (CID 46557552) is 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one is Cc1cccc(N2CC(C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)c1C.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is NGMQURNBSNXKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-16-6-5-9-20(17(16)2)27-15-18(14-22(27)28)23(29)26-12-10-25(11-13-26)21-8-4-3-7-19(21)24/h3-9,18H,10-15H2,1-2H3.
What are the key properties of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one?
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 411.93 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 46557552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).