4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one

C23H26ClN3O3 — CID 17191849

IUPAC4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C)cc1N1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1=O
InChIInChI=1S/C23H26ClN3O3/c1-16-6-7-21(30-2)20(12-16)27-15-17(13-22(27)28)23(29)26-10-8-25(9-11-26)19-5-3-4-18(24)14-19/h3-7,12,14,17H,8-11,13,15H2,1-2H3
InChIKeyOVJWKGHWWYRVFA-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.36
Rot. Bonds4

About 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one (PubChem CID 17191849) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
PubChem CID17191849
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C)cc1N1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1=O
InChIInChI=1S/C23H26ClN3O3/c1-16-6-7-21(30-2)20(12-16)27-15-17(13-22(27)28)23(29)26-10-8-25(9-11-26)19-5-3-4-18(24)14-19/h3-7,12,14,17H,8-11,13,15H2,1-2H3
InChIKeyOVJWKGHWWYRVFA-UHFFFAOYSA-N
XLogP3.36
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120613
1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
1-(2-methoxy-5-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561638
1-(5-chloro-2-methylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113187589
1-(4-chloro-2-methylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113187702
(4R)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 34365838

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one (CID 17191849) is 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one is COc1ccc(C)cc1N1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1=O.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
The InChIKey is OVJWKGHWWYRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-16-6-7-21(30-2)20(12-16)27-15-17(13-22(27)28)23(29)26-10-8-25(9-11-26)19-5-3-4-18(24)14-19/h3-7,12,14,17H,8-11,13,15H2,1-2H3.
What are the key properties of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one?
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one has a molecular weight of 427.93 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 17191849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).