3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione

C16H20N2O3 — CID 64881514

IUPAC3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)CN(CC2CCCO2)C1=O
InChIInChI=1S/C16H20N2O3/c1-16(12-6-3-2-4-7-12)15(20)18(11-14(19)17-16)10-13-8-5-9-21-13/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,19)
InChIKeyJPHRSMNEHCNEAV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.04
Rot. Bonds3

About 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione

3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione (PubChem CID 64881514) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
PubChem CID64881514
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)CN(CC2CCCO2)C1=O
InChIInChI=1S/C16H20N2O3/c1-16(12-6-3-2-4-7-12)15(20)18(11-14(19)17-16)10-13-8-5-9-21-13/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,19)
InChIKeyJPHRSMNEHCNEAV-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 112774193
3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64881358
1-(3-fluoropropyl)-3-methyl-3-phenylpiperazine-2,5-dione
CID 81110235
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643575
(5S)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643587
3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
CID 43000639
4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878807
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002969
1-(1-cyclopropylpropan-2-yl)-3-methyl-3-phenylpiperazine-2,5-dione
CID 64971848
3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione (CID 64881514) is 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione is CC1(c2ccccc2)NC(=O)CN(CC2CCCO2)C1=O.
What is the InChIKey of 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione?
The InChIKey is JPHRSMNEHCNEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(12-6-3-2-4-7-12)15(20)18(11-14(19)17-16)10-13-8-5-9-21-13/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,19).
What are the key properties of 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione?
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64881514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).