3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

C12H20N2O3 — CID 65170302

IUPAC3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCC1NC(=O)CN(CCCC2CCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-9-12(16)14(8-11(15)13-9)6-2-4-10-5-3-7-17-10/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyBJZMPTDVSUQXJC-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds4

About 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (PubChem CID 65170302) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
PubChem CID65170302
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCC1NC(=O)CN(CCCC2CCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-9-12(16)14(8-11(15)13-9)6-2-4-10-5-3-7-17-10/h9-10H,2-8H2,1H3,(H,13,15)
InChIKeyBJZMPTDVSUQXJC-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170452
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
CID 66076059
6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170198
6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170196
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006
1-(2-cyclopentylethyl)-3-methylpiperazine-2,5-dione
CID 64964119
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126
3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002969
1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one
CID 104601266
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (CID 65170302) is 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is CC1NC(=O)CN(CCCC2CCCO2)C1=O.
What is the InChIKey of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The InChIKey is BJZMPTDVSUQXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-12(16)14(8-11(15)13-9)6-2-4-10-5-3-7-17-10/h9-10H,2-8H2,1H3,(H,13,15).
What are the key properties of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is sourced from PubChem (CID 65170302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).