3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione

C12H20N2O3 — CID 66076059

IUPAC3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
SMILESCC1NCC(=O)N(CCCC2CCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-9-12(16)14(11(15)8-13-9)6-2-4-10-5-3-7-17-10/h9-10,13H,2-8H2,1H3
InChIKeyGFLLPWGCUVQAJK-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds4

About 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione

3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione (PubChem CID 66076059) 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-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
PubChem CID66076059
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
SMILESCC1NCC(=O)N(CCCC2CCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-9-12(16)14(11(15)8-13-9)6-2-4-10-5-3-7-17-10/h9-10,13H,2-8H2,1H3
InChIKeyGFLLPWGCUVQAJK-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65362289
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
2-ethyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83250154
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione
CID 112591354
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,6-dione
CID 66074319
3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione
CID 66074717
3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione
CID 103137992
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione (CID 66076059) is 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione is CC1NCC(=O)N(CCCC2CCCO2)C1=O.
What is the InChIKey of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione?
The InChIKey is GFLLPWGCUVQAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-12(16)14(11(15)8-13-9)6-2-4-10-5-3-7-17-10/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione?
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione has a molecular weight of 240.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione is sourced from PubChem (CID 66076059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).