1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C18H25N3O2 — CID 119471488

IUPAC1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCc1ccc(N2CC(C(=O)N3CCNCC3C)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-3-14-4-6-16(7-5-14)21-12-15(10-17(21)22)18(23)20-9-8-19-11-13(20)2/h4-7,13,15,19H,3,8-12H2,1-2H3
InChIKeyMZPYNFPFTHHGBL-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.42
Rot. Bonds3

About 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 119471488) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID119471488
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCc1ccc(N2CC(C(=O)N3CCNCC3C)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-3-14-4-6-16(7-5-14)21-12-15(10-17(21)22)18(23)20-9-8-19-11-13(20)2/h4-7,13,15,19H,3,8-12H2,1-2H3
InChIKeyMZPYNFPFTHHGBL-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9389079
1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731708
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119471017
1-(4-ethylphenyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120995208
3-[(4R)-4-[(2S)-2-methylpiperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125118581
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263
1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120553985
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650075

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 119471488) is 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one is CCc1ccc(N2CC(C(=O)N3CCNCC3C)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is MZPYNFPFTHHGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-14-4-6-16(7-5-14)21-12-15(10-17(21)22)18(23)20-9-8-19-11-13(20)2/h4-7,13,15,19H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 119471488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).