5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one

C15H25N3O — CID 43259593

IUPAC5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one
SMILESCC1CCCC(C)N1CCCn1cc(N)ccc1=O
InChIInChI=1S/C15H25N3O/c1-12-5-3-6-13(2)18(12)10-4-9-17-11-14(16)7-8-15(17)19/h7-8,11-13H,3-6,9-10,16H2,1-2H3
InChIKeyKMPPORPKGYXYJV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.08
Rot. Bonds4

About 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one

5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one (PubChem CID 43259593) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one
PubChem CID43259593
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one
SMILESCC1CCCC(C)N1CCCn1cc(N)ccc1=O
InChIInChI=1S/C15H25N3O/c1-12-5-3-6-13(2)18(12)10-4-9-17-11-14(16)7-8-15(17)19/h7-8,11-13H,3-6,9-10,16H2,1-2H3
InChIKeyKMPPORPKGYXYJV-UHFFFAOYSA-N
XLogP2.08
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one (CID 43259593) is 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one is CC1CCCC(C)N1CCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one?
The InChIKey is KMPPORPKGYXYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-5-3-6-13(2)18(12)10-4-9-17-11-14(16)7-8-15(17)19/h7-8,11-13H,3-6,9-10,16H2,1-2H3.
What are the key properties of 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one?
5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 43259593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).