3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one

C15H21N3O2 — CID 154974996

IUPAC3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESC=CC(=O)N1CCN(Cc2ccc(CC)c(=O)[nH]2)CC1
InChIInChI=1S/C15H21N3O2/c1-3-12-5-6-13(16-15(12)20)11-17-7-9-18(10-8-17)14(19)4-2/h4-6H,2-3,7-11H2,1H3,(H,16,20)
InChIKeyTZQJMESJDHPMSI-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.77
Rot. Bonds4

About 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one

3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 154974996) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID154974996
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESC=CC(=O)N1CCN(Cc2ccc(CC)c(=O)[nH]2)CC1
InChIInChI=1S/C15H21N3O2/c1-3-12-5-6-13(16-15(12)20)11-17-7-9-18(10-8-17)14(19)4-2/h4-6H,2-3,7-11H2,1H3,(H,16,20)
InChIKeyTZQJMESJDHPMSI-UHFFFAOYSA-N
XLogP0.77
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one (CID 154974996) is 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one is C=CC(=O)N1CCN(Cc2ccc(CC)c(=O)[nH]2)CC1.
What is the InChIKey of 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is TZQJMESJDHPMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-12-5-6-13(16-15(12)20)11-17-7-9-18(10-8-17)14(19)4-2/h4-6H,2-3,7-11H2,1H3,(H,16,20).
What are the key properties of 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 154974996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).