3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione

C16H26N2O3 — CID 102901713

IUPAC3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CC2CCC3(CCCC3)O2)C1=O
InChIInChI=1S/C16H26N2O3/c1-3-15(2)14(20)18(11-13(19)17-15)10-12-6-9-16(21-12)7-4-5-8-16/h12H,3-11H2,1-2H3,(H,17,19)
InChIKeyAPFVNCKDZSYHEN-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.61
Rot. Bonds3

About 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione

3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 102901713) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione
PubChem CID102901713
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CC2CCC3(CCCC3)O2)C1=O
InChIInChI=1S/C16H26N2O3/c1-3-15(2)14(20)18(11-13(19)17-15)10-12-6-9-16(21-12)7-4-5-8-16/h12H,3-11H2,1-2H3,(H,17,19)
InChIKeyAPFVNCKDZSYHEN-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione (CID 102901713) is 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione is CCC1(C)NC(=O)CN(CC2CCC3(CCCC3)O2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is APFVNCKDZSYHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-15(2)14(20)18(11-13(19)17-15)10-12-6-9-16(21-12)7-4-5-8-16/h12H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione?
3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 294.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 102901713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).