4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one

C19H25N3O3 — CID 110346238

IUPAC4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-2-8-22-14-16(13-17(22)23)19(25)21-11-9-20(10-12-21)18(24)15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3
InChIKeyMLENXOYZNKLRQK-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.23
Rot. Bonds4

About 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one

4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one (PubChem CID 110346238) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
PubChem CID110346238
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-2-8-22-14-16(13-17(22)23)19(25)21-11-9-20(10-12-21)18(24)15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3
InChIKeyMLENXOYZNKLRQK-UHFFFAOYSA-N
XLogP1.23
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346248
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
4-(4-benzoylpiperazine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 47004546
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
N,N-dimethyl-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346275
1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535494
(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093431
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-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one
CID 113185700
1-benzyl-4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108545946
(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 39911499

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one?
The IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one (CID 110346238) is 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one is CCCN1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O.
What is the InChIKey of 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one?
The InChIKey is MLENXOYZNKLRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-8-22-14-16(13-17(22)23)19(25)21-11-9-20(10-12-21)18(24)15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3.
What are the key properties of 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one?
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one is sourced from PubChem (CID 110346238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).