3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione

C16H28N2O3 — CID 64902530

IUPAC3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)CC)C(=O)N1CC1CCCO1
InChIInChI=1S/C16H28N2O3/c1-4-7-13-15(19)17-14(11(3)5-2)16(20)18(13)10-12-8-6-9-21-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyLPNUIESQSISVDG-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds6

About 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione

3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione (PubChem CID 64902530) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione
PubChem CID64902530
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)CC)C(=O)N1CC1CCCO1
InChIInChI=1S/C16H28N2O3/c1-4-7-13-15(19)17-14(11(3)5-2)16(20)18(13)10-12-8-6-9-21-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyLPNUIESQSISVDG-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione with MolForge

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Related Compounds

6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874947
3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82926807
3-butan-2-yl-6-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141854
3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
CID 64902709
3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64901959
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione
CID 106440709
2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256490
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106000051
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione (CID 64902530) is 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C(C)CC)C(=O)N1CC1CCCO1.
What is the InChIKey of 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione?
The InChIKey is LPNUIESQSISVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-7-13-15(19)17-14(11(3)5-2)16(20)18(13)10-12-8-6-9-21-12/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione?
3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64902530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).