1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one

C13H21N3O — CID 82032054

IUPAC1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one
SMILESCC1CCN(c2ccc(=O)n(CCN)c2)CC1
InChIInChI=1S/C13H21N3O/c1-11-4-7-15(8-5-11)12-2-3-13(17)16(10-12)9-6-14/h2-3,10-11H,4-9,14H2,1H3
InChIKeyZZXFLDHUIYLMHD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.04
Rot. Bonds3

About 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one

1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one (PubChem CID 82032054) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one
PubChem CID82032054
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one
SMILESCC1CCN(c2ccc(=O)n(CCN)c2)CC1
InChIInChI=1S/C13H21N3O/c1-11-4-7-15(8-5-11)12-2-3-13(17)16(10-12)9-6-14/h2-3,10-11H,4-9,14H2,1H3
InChIKeyZZXFLDHUIYLMHD-UHFFFAOYSA-N
XLogP1.04
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanamide
CID 39151053
1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one
CID 94758177
2-[3-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]propanoylamino]butanoic acid
CID 82031284
5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
CID 63623496
[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine
CID 82199390
1-(2-hydroxyethyl)-5-morpholin-4-ylpyridin-2-one
CID 59843097
5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62330989
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
4-[5-(azepan-1-yl)-2-oxo-1-pyridinyl]butanoic acid
CID 39151147
2-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 79678383
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 61439168

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one?
The IUPAC name of 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one (CID 82032054) is 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one is CC1CCN(c2ccc(=O)n(CCN)c2)CC1.
What is the InChIKey of 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one?
The InChIKey is ZZXFLDHUIYLMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-4-7-15(8-5-11)12-2-3-13(17)16(10-12)9-6-14/h2-3,10-11H,4-9,14H2,1H3.
What are the key properties of 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one?
1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one is sourced from PubChem (CID 82032054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).