1,6-dimethyl-6-phenylpiperazine-2,5-dione

C12H14N2O2 — CID 64879749

IUPAC1,6-dimethyl-6-phenylpiperazine-2,5-dione
SMILESCN1C(=O)CNC(=O)C1(C)c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-12(9-6-4-3-5-7-9)11(16)13-8-10(15)14(12)2/h3-7H,8H2,1-2H3,(H,13,16)
InChIKeyOTZROVYGSNJHMH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.49
Rot. Bonds1

About 1,6-dimethyl-6-phenylpiperazine-2,5-dione

1,6-dimethyl-6-phenylpiperazine-2,5-dione (PubChem CID 64879749) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1,6-dimethyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,6-dimethyl-6-phenylpiperazine-2,5-dione
PubChem CID64879749
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1,6-dimethyl-6-phenylpiperazine-2,5-dione
SMILESCN1C(=O)CNC(=O)C1(C)c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-12(9-6-4-3-5-7-9)11(16)13-8-10(15)14(12)2/h3-7H,8H2,1-2H3,(H,13,16)
InChIKeyOTZROVYGSNJHMH-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(2-methylsulfonylethyl)-6-phenylpiperazine-2,5-dione
CID 64878789
6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
CID 64879553
1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione
CID 64879945
4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 66936393
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
(3S)-3-methyl-3-phenylazetidin-2-one
CID 10329577
6,6-dimethyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
CID 79224358
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
5-methyl-2-oxido-5-phenyltriazinane-4,6-dione
CID 163644161
3-methylimidazolidine-2,4-dione;toluene
CID 174814099
(3S)-3-methyl-3-phenylpiperazin-2-one
CID 94410308
3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
CID 64886030

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1,6-dimethyl-6-phenylpiperazine-2,5-dione (CID 64879749) is 1,6-dimethyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1,6-dimethyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1,6-dimethyl-6-phenylpiperazine-2,5-dione is CN1C(=O)CNC(=O)C1(C)c1ccccc1.
What is the InChIKey of 1,6-dimethyl-6-phenylpiperazine-2,5-dione?
The InChIKey is OTZROVYGSNJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(9-6-4-3-5-7-9)11(16)13-8-10(15)14(12)2/h3-7H,8H2,1-2H3,(H,13,16).
What are the key properties of 1,6-dimethyl-6-phenylpiperazine-2,5-dione?
1,6-dimethyl-6-phenylpiperazine-2,5-dione has a molecular weight of 218.26 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64879749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).