1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione

C15H26N2O2 — CID 64956879

IUPAC1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CCCCCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-3-15(2)14(19)17(11-13(18)16-15)12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeyFSNNVCBGAOXJIZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.23
Rot. Bonds2

About 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione

1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64956879) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64956879
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CCCCCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-3-15(2)14(19)17(11-13(18)16-15)12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeyFSNNVCBGAOXJIZ-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione (CID 64956879) is 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione is CCC1(C)NC(=O)CN(C2CCCCCCC2)C1=O.
What is the InChIKey of 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is FSNNVCBGAOXJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-15(2)14(19)17(11-13(18)16-15)12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione?
1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64956879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).