5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one

C13H19N3O2 — CID 62815109

IUPAC5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCCCN1C(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-10-4-2-3-7-16(10)13(18)9-15-8-11(14)5-6-12(15)17/h5-6,8,10H,2-4,7,9,14H2,1H3
InChIKeyYXWGMSHDLVVKTQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.83
Rot. Bonds2

About 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one

5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 62815109) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID62815109
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCCCN1C(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C13H19N3O2/c1-10-4-2-3-7-16(10)13(18)9-15-8-11(14)5-6-12(15)17/h5-6,8,10H,2-4,7,9,14H2,1H3
InChIKeyYXWGMSHDLVVKTQ-UHFFFAOYSA-N
XLogP0.83
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]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 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (CID 62815109) is 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is CC1CCCCN1C(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is YXWGMSHDLVVKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-4-2-3-7-16(10)13(18)9-15-8-11(14)5-6-12(15)17/h5-6,8,10H,2-4,7,9,14H2,1H3.
What are the key properties of 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62815109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).