1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C19H27N3O2 — CID 113186377

IUPAC1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCc1cccc(C)c1N1CC(C(=O)N2CCN(C)CC2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-4-15-7-5-6-14(2)18(15)22-13-16(12-17(22)23)19(24)21-10-8-20(3)9-11-21/h5-7,16H,4,8-13H2,1-3H3
InChIKeyOKUNHAQPJWBXMN-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.68
Rot. Bonds3

About 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 113186377) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID113186377
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCc1cccc(C)c1N1CC(C(=O)N2CCN(C)CC2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-4-15-7-5-6-14(2)18(15)22-13-16(12-17(22)23)19(24)21-10-8-20(3)9-11-21/h5-7,16H,4,8-13H2,1-3H3
InChIKeyOKUNHAQPJWBXMN-UHFFFAOYSA-N
XLogP1.68
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepane-1-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 113186430
(4R)-4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 95719384
4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 56894919
(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113186494
1-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186228
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499
4-(4-methylpiperidine-1-carbonyl)-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186953
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367
1-(2,6-dimethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113186240

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 113186377) is 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is CCc1cccc(C)c1N1CC(C(=O)N2CCN(C)CC2)CC1=O.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OKUNHAQPJWBXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-15-7-5-6-14(2)18(15)22-13-16(12-17(22)23)19(24)21-10-8-20(3)9-11-21/h5-7,16H,4,8-13H2,1-3H3.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113186377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).