4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one

C21H29N3O3 — CID 110346248

IUPAC4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)CC1=O
InChIInChI=1S/C21H29N3O3/c1-4-7-24-14-18(13-19(24)25)21(27)23-10-8-22(9-11-23)20(26)17-6-5-15(2)16(3)12-17/h5-6,12,18H,4,7-11,13-14H2,1-3H3
InChIKeySTYXPIUJUUPROP-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.85
Rot. Bonds4

About 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one

4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one (PubChem CID 110346248) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
PubChem CID110346248
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)CC1=O
InChIInChI=1S/C21H29N3O3/c1-4-7-24-14-18(13-19(24)25)21(27)23-10-8-22(9-11-23)20(26)17-6-5-15(2)16(3)12-17/h5-6,12,18H,4,7-11,13-14H2,1-3H3
InChIKeySTYXPIUJUUPROP-UHFFFAOYSA-N
XLogP1.85
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
1-benzyl-4-[4-(3,4-dimethylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546319
4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 55879779
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 110346325
N,N-dimethyl-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346275
(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093431
4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346284
4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 82042053
(4R)-1-ethyl-4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093428
4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346269
4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 46597771
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one (CID 110346248) is 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one is CCCN1CC(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)CC1=O.
What is the InChIKey of 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The InChIKey is STYXPIUJUUPROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-7-24-14-18(13-19(24)25)21(27)23-10-8-22(9-11-23)20(26)17-6-5-15(2)16(3)12-17/h5-6,12,18H,4,7-11,13-14H2,1-3H3.
What are the key properties of 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 110346248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).