1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione

C12H13ClN2O2 — CID 117026330

IUPAC1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione
SMILESCc1ccc(Cl)cc1N1CC(=O)N(C)CC1=O
InChIInChI=1S/C12H13ClN2O2/c1-8-3-4-9(13)5-10(8)15-7-11(16)14(2)6-12(15)17/h3-5H,6-7H2,1-2H3
InChIKeyKOZWBLGJIAQTKJ-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.45
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione

1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione (PubChem CID 117026330) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione
PubChem CID117026330
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione
SMILESCc1ccc(Cl)cc1N1CC(=O)N(C)CC1=O
InChIInChI=1S/C12H13ClN2O2/c1-8-3-4-9(13)5-10(8)15-7-11(16)14(2)6-12(15)17/h3-5H,6-7H2,1-2H3
InChIKeyKOZWBLGJIAQTKJ-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)pyrrolidine-2,4-dione
CID 79516418
4-(5-chloro-2-methylphenyl)-1,4-diazocan-5-one
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1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(5-chloro-2-methylphenyl)-3-methyl-1,3-diazinane-2-thione
CID 10198961
4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
CID 115469047
ethyl (3S)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075793
7-chloro-4-(5-fluoro-2-methylphenyl)-5H-1,4-benzoxazepin-3-one
CID 53152733
2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 82090027
3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one
CID 11334740
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
(1R,2R,6S,7R)-4-(5-chloro-2-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98070334

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione (CID 117026330) is 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione is Cc1ccc(Cl)cc1N1CC(=O)N(C)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione?
The InChIKey is KOZWBLGJIAQTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-3-4-9(13)5-10(8)15-7-11(16)14(2)6-12(15)17/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione?
1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione has a molecular weight of 252.70 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117026330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).