1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione

C15H17ClN2O2 — CID 64961466

IUPAC1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCc1ccc(Cl)cc1N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C15H17ClN2O2/c1-9-3-6-11(16)7-12(9)18-8-13(19)17-15(2,14(18)20)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,17,19)
InChIKeyDUKKKCCYCIMMHI-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.28
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione

1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione (PubChem CID 64961466) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
PubChem CID64961466
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCc1ccc(Cl)cc1N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C15H17ClN2O2/c1-9-3-6-11(16)7-12(9)18-8-13(19)17-15(2,14(18)20)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,17,19)
InChIKeyDUKKKCCYCIMMHI-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962108
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64958067
3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957821
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64970712
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64964941
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 107580172
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238
5-cyclopropyl-3-(2,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 106702974
3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
CID 64959497
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
1-(2-chloro-5-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107640186

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione (CID 64961466) is 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione is Cc1ccc(Cl)cc1N1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The InChIKey is DUKKKCCYCIMMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-3-6-11(16)7-12(9)18-8-13(19)17-15(2,14(18)20)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,17,19).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione has a molecular weight of 292.77 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64961466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).