5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one

C13H21N3O — CID 43259488

IUPAC5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCC1CCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C13H21N3O/c1-11-4-6-15(7-5-11)8-9-16-10-12(14)2-3-13(16)17/h2-3,10-11H,4-9,14H2,1H3
InChIKeySFEFBMYEDKBGAA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.16
Rot. Bonds3

About 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one (PubChem CID 43259488) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one
PubChem CID43259488
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCC1CCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C13H21N3O/c1-11-4-6-15(7-5-11)8-9-16-10-12(14)2-3-13(16)17/h2-3,10-11H,4-9,14H2,1H3
InChIKeySFEFBMYEDKBGAA-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one (CID 43259488) is 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one is CC1CCN(CCn2cc(N)ccc2=O)CC1.
What is the InChIKey of 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is SFEFBMYEDKBGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-4-6-15(7-5-11)8-9-16-10-12(14)2-3-13(16)17/h2-3,10-11H,4-9,14H2,1H3.
What are the key properties of 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 43259488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).