3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione

C14H22N2O3 — CID 64886563

IUPAC3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1CC1CCCCO1
InChIInChI=1S/C14H22N2O3/c1-9-13(17)15-12(10-5-6-10)14(18)16(9)8-11-4-2-3-7-19-11/h9-12H,2-8H2,1H3,(H,15,17)
InChIKeyUPMSQCYZLOXRCC-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.68
Rot. Bonds3

About 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione

3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64886563) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64886563
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1CC1CCCCO1
InChIInChI=1S/C14H22N2O3/c1-9-13(17)15-12(10-5-6-10)14(18)16(9)8-11-4-2-3-7-19-11/h9-12H,2-8H2,1H3,(H,15,17)
InChIKeyUPMSQCYZLOXRCC-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64874853
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134
3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64967234
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965
2-cyclopentyl-5-methyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256823
2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255693
3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
CID 64885417
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256490
2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256573
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione (CID 64886563) is 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione is CC1C(=O)NC(C2CC2)C(=O)N1CC1CCCCO1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is UPMSQCYZLOXRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-13(17)15-12(10-5-6-10)14(18)16(9)8-11-4-2-3-7-19-11/h9-12H,2-8H2,1H3,(H,15,17).
What are the key properties of 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 266.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64886563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).