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

C15H24N2O3 — CID 64967746

IUPAC3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C2CC2)C(=O)N1CC1CCCOC1
InChIInChI=1S/C15H24N2O3/c1-10-13(18)16-15(2,12-5-6-12)14(19)17(10)8-11-4-3-7-20-9-11/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyUROPCMLKWCWPLT-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.93
Rot. Bonds3

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

3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64967746) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione
PubChem CID64967746
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C2CC2)C(=O)N1CC1CCCOC1
InChIInChI=1S/C15H24N2O3/c1-10-13(18)16-15(2,12-5-6-12)14(19)17(10)8-11-4-3-7-20-9-11/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyUROPCMLKWCWPLT-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione with MolForge

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Related Compounds

1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
3-cyclopropyl-3,6-dimethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587066
3-cyclopropyl-3,6-dimethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80613039
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
6-tert-butyl-3-cyclopropyl-1-(cyclopropylmethyl)-3-methylpiperazine-2,5-dione
CID 64884802
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 106440757
3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
CID 64885751
3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione
CID 106409392
3,3-dimethyl-1-(oxan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64967761
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
3-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,6-dimethylpiperazine-2,5-dione
CID 103414802

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione (CID 64967746) is 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione is CC1C(=O)NC(C)(C2CC2)C(=O)N1CC1CCCOC1.
What is the InChIKey of 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is UROPCMLKWCWPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-13(18)16-15(2,12-5-6-12)14(19)17(10)8-11-4-3-7-20-9-11/h10-12H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione?
3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,6-dimethyl-1-(oxan-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64967746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).