4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one

C14H26N2O2 — CID 63608085

IUPAC4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
SMILESCCCCC(CC)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-5-7-8-11(6-2)12(17)16-10-9-15-13(18)14(16,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyGQVDEUMTOYYIKG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds5

About 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one

4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63608085) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
PubChem CID63608085
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
SMILESCCCCC(CC)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-5-7-8-11(6-2)12(17)16-10-9-15-13(18)14(16,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyGQVDEUMTOYYIKG-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one (CID 63608085) is 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one is CCCCC(CC)C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is GQVDEUMTOYYIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-7-8-11(6-2)12(17)16-10-9-15-13(18)14(16,3)4/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one?
4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63608085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).