3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one

C14H26N2O2 — CID 63600640

IUPAC3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
SMILESCCCCC(CC)C(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C14H26N2O2/c1-4-7-8-11(5-2)14(18)16-10-9-15-13(17)12(16)6-3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyGVNOPIHQPJKAAO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds6

About 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one

3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one (PubChem CID 63600640) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
PubChem CID63600640
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
SMILESCCCCC(CC)C(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C14H26N2O2/c1-4-7-8-11(5-2)14(18)16-10-9-15-13(17)12(16)6-3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyGVNOPIHQPJKAAO-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one
CID 81088563
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 120613615
2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 50999951
4-(2-ethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 63608085
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 107566992

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one (CID 63600640) is 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one is CCCCC(CC)C(=O)N1CCNC(=O)C1CC.
What is the InChIKey of 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one?
The InChIKey is GVNOPIHQPJKAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-7-8-11(5-2)14(18)16-10-9-15-13(17)12(16)6-3/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one?
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one is sourced from PubChem (CID 63600640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).