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

C16H28N2O3 — CID 64874947

IUPAC6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)CC)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-4-7-13-16(20)18(10-12-8-6-9-21-12)14(11(3)5-2)15(19)17-13/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyRANVCSYCUJMSSE-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds6

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

6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione (PubChem CID 64874947) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione
PubChem CID64874947
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)CC)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-4-7-13-16(20)18(10-12-8-6-9-21-12)14(11(3)5-2)15(19)17-13/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyRANVCSYCUJMSSE-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 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione
CID 64902530
6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141809
6-ethyl-1-[1-(oxolan-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64960557
6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64872985
5-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248880
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897
3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 79071601
6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
CID 64886009
2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 106000199
2-ethyl-5-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255692
5-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248789
6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64901459

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione (CID 64874947) is 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)CC)N(CC2CCCO2)C1=O.
What is the InChIKey of 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is RANVCSYCUJMSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-7-13-16(20)18(10-12-8-6-9-21-12)14(11(3)5-2)15(19)17-13/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione?
6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-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 6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64874947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).