5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one

C14H23N3O — CID 43259594

IUPAC5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCC1CCCC(C)N1CCn1cc(N)ccc1=O
InChIInChI=1S/C14H23N3O/c1-11-4-3-5-12(2)17(11)9-8-16-10-13(15)6-7-14(16)18/h6-7,10-12H,3-5,8-9,15H2,1-2H3
InChIKeySHIKRNHAGOUJSZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds3

About 5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one (PubChem CID 43259594) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
PubChem CID43259594
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCC1CCCC(C)N1CCn1cc(N)ccc1=O
InChIInChI=1S/C14H23N3O/c1-11-4-3-5-12(2)17(11)9-8-16-10-13(15)6-7-14(16)18/h6-7,10-12H,3-5,8-9,15H2,1-2H3
InChIKeySHIKRNHAGOUJSZ-UHFFFAOYSA-N
XLogP1.69
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.69
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-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one (CID 43259594) is 5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one is CC1CCCC(C)N1CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is SHIKRNHAGOUJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-4-3-5-12(2)17(11)9-8-16-10-13(15)6-7-14(16)18/h6-7,10-12H,3-5,8-9,15H2,1-2H3.
What are the key properties of 5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.69, 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-(2,6-dimethylpiperidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 43259594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).