4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one

C24H25F2N3O5 — CID 55586204

IUPAC4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)CC2=O)c(OC)c1
InChIInChI=1S/C24H25F2N3O5/c1-33-17-4-6-20(21(13-17)34-2)29-14-16(12-22(29)30)24(32)28-9-7-27(8-10-28)23(31)15-3-5-18(25)19(26)11-15/h3-6,11,13,16H,7-10,12,14H2,1-2H3
InChIKeyYWYHEYSAUWQKDG-UHFFFAOYSA-N
MW473.48 g/mol
LogP2.32
Rot. Bonds5

About 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one

4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one (PubChem CID 55586204) has the molecular formula C24H25F2N3O5 and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
PubChem CID55586204
Molecular FormulaC24H25F2N3O5
Molecular Weight473.48 g/mol
Exact Mass473.18
IUPAC Name4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)CC2=O)c(OC)c1
InChIInChI=1S/C24H25F2N3O5/c1-33-17-4-6-20(21(13-17)34-2)29-14-16(12-22(29)30)24(32)28-9-7-27(8-10-28)23(31)15-3-5-18(25)19(26)11-15/h3-6,11,13,16H,7-10,12,14H2,1-2H3
InChIKeyYWYHEYSAUWQKDG-UHFFFAOYSA-N
XLogP2.32
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(2,4-dimethoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 39312119
(4R)-1-(2,4-dimethoxyphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351549
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 119409348
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 113188506
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 110346325
(4S)-1-(2,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 31370542
1-(2,5-dimethoxyphenyl)-4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55851376
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 113188501
(4S)-1-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 9396068
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
4-[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 113188456

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one (CID 55586204) is 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)CC2=O)c(OC)c1.
What is the InChIKey of 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is YWYHEYSAUWQKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O5/c1-33-17-4-6-20(21(13-17)34-2)29-14-16(12-22(29)30)24(32)28-9-7-27(8-10-28)23(31)15-3-5-18(25)19(26)11-15/h3-6,11,13,16H,7-10,12,14H2,1-2H3.
What are the key properties of 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one?
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 473.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 55586204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).