4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

C22H31N3O3 — CID 46597771

IUPAC4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CC(=O)N(CC(C)C)C3)CC2)cc1
InChIInChI=1S/C22H31N3O3/c1-4-17-5-7-18(8-6-17)21(27)23-9-11-24(12-10-23)22(28)19-13-20(26)25(15-19)14-16(2)3/h5-8,16,19H,4,9-15H2,1-3H3
InChIKeyMYABSUSAWISLNC-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.04
Rot. Bonds5

About 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 46597771) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID46597771
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CC(=O)N(CC(C)C)C3)CC2)cc1
InChIInChI=1S/C22H31N3O3/c1-4-17-5-7-18(8-6-17)21(27)23-9-11-24(12-10-23)22(28)19-13-20(26)25(15-19)14-16(2)3/h5-8,16,19H,4,9-15H2,1-3H3
InChIKeyMYABSUSAWISLNC-UHFFFAOYSA-N
XLogP2.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093431
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
1-benzyl-4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108545946
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346248
4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 55879779
(4S)-1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 94068955
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
cyclopropyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110806443

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 46597771) is 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is CCc1ccc(C(=O)N2CCN(C(=O)C3CC(=O)N(CC(C)C)C3)CC2)cc1.
What is the InChIKey of 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is MYABSUSAWISLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-4-17-5-7-18(8-6-17)21(27)23-9-11-24(12-10-23)22(28)19-13-20(26)25(15-19)14-16(2)3/h5-8,16,19H,4,9-15H2,1-3H3.
What are the key properties of 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 385.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 46597771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).