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

C14H23N3O — CID 62330989

IUPAC5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCC1CCN(CCn2cc(N)ccc2=O)C(C)C1
InChIInChI=1S/C14H23N3O/c1-11-5-6-16(12(2)9-11)7-8-17-10-13(15)3-4-14(17)18/h3-4,10-12H,5-9,15H2,1-2H3
InChIKeyPAFQFQCUESMTHE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.55
Rot. Bonds3

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

5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one (PubChem CID 62330989) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
PubChem CID62330989
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCC1CCN(CCn2cc(N)ccc2=O)C(C)C1
InChIInChI=1S/C14H23N3O/c1-11-5-6-16(12(2)9-11)7-8-17-10-13(15)3-4-14(17)18/h3-4,10-12H,5-9,15H2,1-2H3
InChIKeyPAFQFQCUESMTHE-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one (CID 62330989) is 5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one is CC1CCN(CCn2cc(N)ccc2=O)C(C)C1.
What is the InChIKey of 5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is PAFQFQCUESMTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-5-6-16(12(2)9-11)7-8-17-10-13(15)3-4-14(17)18/h3-4,10-12H,5-9,15H2,1-2H3.
What are the key properties of 5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.55, 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-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 62330989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).