3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione

C14H24N2O3 — CID 64879773

IUPAC3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CC2CCCCO2)C1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)7-12-14(18)16(9-13(17)15-12)8-11-5-3-4-6-19-11/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyAKJVBIUXTQQDOS-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds4

About 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione

3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64879773) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64879773
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CC2CCCCO2)C1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)7-12-14(18)16(9-13(17)15-12)8-11-5-3-4-6-19-11/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyAKJVBIUXTQQDOS-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64900781
1-[(2-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 107420963
2-ethyl-5-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255692
1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967471
1-[(3-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 107415635
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102908614
1-(2-cyclohexyloxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971621
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241
1-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879023
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879394
3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
CID 64879391

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione (CID 64879773) is 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(CC2CCCCO2)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is AKJVBIUXTQQDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)7-12-14(18)16(9-13(17)15-12)8-11-5-3-4-6-19-11/h10-12H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64879773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).