3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

C15H26N2O3 — CID 65170452

IUPAC3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CCCC2CCCO2)C1=O
InChIInChI=1S/C15H26N2O3/c1-3-15(4-2)14(19)17(11-13(18)16-15)9-5-7-12-8-6-10-20-12/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeyFMGXPCOBFFCPPR-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds6

About 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione

3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (PubChem CID 65170452) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
PubChem CID65170452
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CCCC2CCCO2)C1=O
InChIInChI=1S/C15H26N2O3/c1-3-15(4-2)14(19)17(11-13(18)16-15)9-5-7-12-8-6-10-20-12/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeyFMGXPCOBFFCPPR-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002969
1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64963951
3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64969958
1-(cyclopentylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64884500
1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64882149
6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170495
3,3-diethyl-1-(2-ethylsulfinylethyl)piperazine-2,5-dione
CID 113495315
1-amino-3-[3-(oxolan-2-yl)propyl]-1,3-diazinan-2-one
CID 104601266
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione (CID 65170452) is 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is CCC1(CC)NC(=O)CN(CCCC2CCCO2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
The InChIKey is FMGXPCOBFFCPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-15(4-2)14(19)17(11-13(18)16-15)9-5-7-12-8-6-10-20-12/h12H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione?
3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione is sourced from PubChem (CID 65170452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).