(3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione

C12H14N2O2 — CID 51893600

IUPAC(3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione
SMILESCc1ccccc1[C@H]1NC(=O)CN(C)C1=O
InChIInChI=1S/C12H14N2O2/c1-8-5-3-4-6-9(8)11-12(16)14(2)7-10(15)13-11/h3-6,11H,7H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyFDWBKISEGICYTM-LLVKDONJSA-N
MW218.26 g/mol
LogP0.62
Rot. Bonds1

About (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione

(3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione (PubChem CID 51893600) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione
PubChem CID51893600
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione
SMILESCc1ccccc1[C@H]1NC(=O)CN(C)C1=O
InChIInChI=1S/C12H14N2O2/c1-8-5-3-4-6-9(8)11-12(16)14(2)7-10(15)13-11/h3-6,11H,7H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyFDWBKISEGICYTM-LLVKDONJSA-N
XLogP0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-3-naphthalen-1-ylpiperazine-2,5-dione
CID 51893578
3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione
CID 45496525
(3S)-3-(4-hydroxyphenyl)-1-methylpiperazine-2,5-dione
CID 129497711
2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 125482464
(5R)-5-(2-methylphenyl)pyrrolidin-2-one
CID 124706826
4-amino-5-(2-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79960820
2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane
CID 142177778
2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 23215000
5-ethyl-3-methyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83259790
3-methyl-5-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 59135155
6-methyl-5-(2-methylphenyl)piperidin-2-one
CID 123290558
3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one
CID 11507774

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione?
The IUPAC name of (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione (CID 51893600) is (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione is Cc1ccccc1[C@H]1NC(=O)CN(C)C1=O.
What is the InChIKey of (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione?
The InChIKey is FDWBKISEGICYTM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-5-3-4-6-9(8)11-12(16)14(2)7-10(15)13-11/h3-6,11H,7H2,1-2H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione?
(3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione has a molecular weight of 218.26 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-(2-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 51893600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).