1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one

C19H27N3O2 — CID 17151870

IUPAC1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3cc(C)ccc3C)C2)CC1
InChIInChI=1S/C19H27N3O2/c1-4-20-7-9-21(10-8-20)19(24)16-12-18(23)22(13-16)17-11-14(2)5-6-15(17)3/h5-6,11,16H,4,7-10,12-13H2,1-3H3
InChIKeyZNEJDYLMNDRIKP-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.82
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 17151870) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID17151870
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3cc(C)ccc3C)C2)CC1
InChIInChI=1S/C19H27N3O2/c1-4-20-7-9-21(10-8-20)19(24)16-12-18(23)22(13-16)17-11-14(2)5-6-15(17)3/h5-6,11,16H,4,7-10,12-13H2,1-3H3
InChIKeyZNEJDYLMNDRIKP-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113190318
4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 17080756
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9351131
1-(2,5-dimethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17151750
ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
1-(4-bromo-3-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113190401
(3R)-1-[(3S)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 94830850
1-(2-methoxy-5-methylphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56533694
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
CID 113190760
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 17151870) is 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one is CCN1CCN(C(=O)C2CC(=O)N(c3cc(C)ccc3C)C2)CC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ZNEJDYLMNDRIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-20-7-9-21(10-8-20)19(24)16-12-18(23)22(13-16)17-11-14(2)5-6-15(17)3/h5-6,11,16H,4,7-10,12-13H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 17151870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).