6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione

C16H28N2O3 — CID 103141809

IUPAC6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)CC)N(CC2CCC(C)O2)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-10(3)14-15(19)17-13(6-2)16(20)18(14)9-12-8-7-11(4)21-12/h10-14H,5-9H2,1-4H3,(H,17,19)
InChIKeyHSSAQMCSZLZEJX-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds5

About 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione

6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione (PubChem CID 103141809) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
PubChem CID103141809
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)CC)N(CC2CCC(C)O2)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-10(3)14-15(19)17-13(6-2)16(20)18(14)9-12-8-7-11(4)21-12/h10-14H,5-9H2,1-4H3,(H,17,19)
InChIKeyHSSAQMCSZLZEJX-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione (CID 103141809) is 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(C(C)CC)N(CC2CCC(C)O2)C1=O.
What is the InChIKey of 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is HSSAQMCSZLZEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-10(3)14-15(19)17-13(6-2)16(20)18(14)9-12-8-7-11(4)21-12/h10-14H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 103141809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).