3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one

C15H23N3O2 — CID 57262289

IUPAC3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one
SMILESNCC=CCc1c(CN2CCC(O)CC2)cc[nH]c1=O
InChIInChI=1S/C15H23N3O2/c16-7-2-1-3-14-12(4-8-17-15(14)20)11-18-9-5-13(19)6-10-18/h1-2,4,8,13,19H,3,5-7,9-11,16H2,(H,17,20)
InChIKeyMXNDUHOGOMGUQJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.39
Rot. Bonds5

About 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one

3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 57262289) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID57262289
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one
SMILESNCC=CCc1c(CN2CCC(O)CC2)cc[nH]c1=O
InChIInChI=1S/C15H23N3O2/c16-7-2-1-3-14-12(4-8-17-15(14)20)11-18-9-5-13(19)6-10-18/h1-2,4,8,13,19H,3,5-7,9-11,16H2,(H,17,20)
InChIKeyMXNDUHOGOMGUQJ-UHFFFAOYSA-N
XLogP0.39
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-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-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one (CID 57262289) is 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one is NCC=CCc1c(CN2CCC(O)CC2)cc[nH]c1=O.
What is the InChIKey of 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is MXNDUHOGOMGUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-7-2-1-3-14-12(4-8-17-15(14)20)11-18-9-5-13(19)6-10-18/h1-2,4,8,13,19H,3,5-7,9-11,16H2,(H,17,20).
What are the key properties of 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one?
3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobut-2-enyl)-4-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 57262289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).