4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one

C13H19N3O2 — CID 39990974

IUPAC4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
SMILESCCN1CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-15-6-8-16(9-7-15)13(18)11-4-5-14(2)12(17)10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyCAYYGGJVSFLIQR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.16
Rot. Bonds2

About 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one

4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one (PubChem CID 39990974) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
PubChem CID39990974
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
SMILESCCN1CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-15-6-8-16(9-7-15)13(18)11-4-5-14(2)12(17)10-11/h4-5,10H,3,6-9H2,1-2H3
InChIKeyCAYYGGJVSFLIQR-UHFFFAOYSA-N
XLogP0.16
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one (CID 39990974) is 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one is CCN1CCN(C(=O)c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one?
The InChIKey is CAYYGGJVSFLIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-15-6-8-16(9-7-15)13(18)11-4-5-14(2)12(17)10-11/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one?
4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 39990974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).