1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione

C13H15ClN2O2 — CID 114251655

IUPAC1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCc1cccc(N2CC(=O)NC(C)(C)C2=O)c1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8-5-4-6-9(11(8)14)16-7-10(17)15-13(2,3)12(16)18/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyLYRYNLKNFUGROD-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.89
Rot. Bonds1

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

1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 114251655) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID114251655
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCc1cccc(N2CC(=O)NC(C)(C)C2=O)c1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8-5-4-6-9(11(8)14)16-7-10(17)15-13(2,3)12(16)18/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyLYRYNLKNFUGROD-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(2-methylphenyl)-1,4-diazepane-2,5-dione
CID 64959301
3,3-dimethyl-1-(4-methylphenyl)piperazine-2,5-dione
CID 64959294
1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 64960006
1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione
CID 102908577
1-(3,5-dichloro-4-fluorophenyl)-3,3-dimethylpiperazine-2,5-dione
CID 107580201
3,3-dimethyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
CID 79043265
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466
3,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)piperazine-2,5-dione
CID 107646468
1-(4-chloro-2-methylphenyl)imidazolidine-2,4-dione
CID 15382317
1-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 104725437
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64962753
5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115094893

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione (CID 114251655) is 1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione is Cc1cccc(N2CC(=O)NC(C)(C)C2=O)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is LYRYNLKNFUGROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-5-4-6-9(11(8)14)16-7-10(17)15-13(2,3)12(16)18/h4-6H,7H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 266.73 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 114251655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).