1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one

C18H24BrN3O2 — CID 113190318

IUPAC1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3Br)C2)CC1
InChIInChI=1S/C18H24BrN3O2/c1-3-20-6-8-21(9-7-20)18(24)14-11-17(23)22(12-14)16-5-4-13(2)10-15(16)19/h4-5,10,14H,3,6-9,11-12H2,1-2H3
InChIKeyNDUSUDZDQNMMLT-UHFFFAOYSA-N
MW394.31 g/mol
LogP2.27
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 113190318) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID113190318
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3Br)C2)CC1
InChIInChI=1S/C18H24BrN3O2/c1-3-20-6-8-21(9-7-20)18(24)14-11-17(23)22(12-14)16-5-4-13(2)10-15(16)19/h4-5,10,14H,3,6-9,11-12H2,1-2H3
InChIKeyNDUSUDZDQNMMLT-UHFFFAOYSA-N
XLogP2.27
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17151870
1-(4-bromo-3-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113190401
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
ethyl 4-[(3S)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 51935377
4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
CID 113190760
1-(2-bromo-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688070
2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55583198
1-(2-methoxy-5-methylphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56533694
4-(4-ethylpiperazine-1-carbonyl)-1-pyridin-3-ylpyrrolidin-2-one
CID 110684478
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 17120155
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 113190318) is 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one is CCN1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3Br)C2)CC1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is NDUSUDZDQNMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c1-3-20-6-8-21(9-7-20)18(24)14-11-17(23)22(12-14)16-5-4-13(2)10-15(16)19/h4-5,10,14H,3,6-9,11-12H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 394.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113190318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).