3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

C15H26N2O3 — CID 64967664

IUPAC3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC2CCCOC2)C1=O
InChIInChI=1S/C15H26N2O3/c1-4-12-15(19)17(8-11-6-5-7-20-9-11)13(10(2)3)14(18)16-12/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyUHLGTYYEGNGCQS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.17
Rot. Bonds4

About 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64967664) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64967664
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC2CCCOC2)C1=O
InChIInChI=1S/C15H26N2O3/c1-4-12-15(19)17(8-11-6-5-7-20-9-11)13(10(2)3)14(18)16-12/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyUHLGTYYEGNGCQS-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64963527
2-ethyl-5-(2-methylpropyl)-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250078
3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 79071601
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3-ethyl-1-[(5-methyloxolan-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 103141807
2-(2-methylpropyl)-3-(oxan-3-ylmethyl)-5-propylimidazolidin-4-one
CID 83250292
5-butan-2-yl-2-methyl-3-(oxan-3-ylmethyl)imidazolidin-4-one
CID 83250080
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903230
3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64972041
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64967664) is 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(CC2CCCOC2)C1=O.
What is the InChIKey of 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is UHLGTYYEGNGCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-12-15(19)17(8-11-6-5-7-20-9-11)13(10(2)3)14(18)16-12/h10-13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64967664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).