1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one

C13H21N3O — CID 79707302

IUPAC1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one
SMILESCCn1cc(NCC2CCNCC2)ccc1=O
InChIInChI=1S/C13H21N3O/c1-2-16-10-12(3-4-13(16)17)15-9-11-5-7-14-8-6-11/h3-4,10-11,14-15H,2,5-9H2,1H3
InChIKeyNYLOWFFFPFKEBD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.28
Rot. Bonds4

About 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one

1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one (PubChem CID 79707302) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one
PubChem CID79707302
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one
SMILESCCn1cc(NCC2CCNCC2)ccc1=O
InChIInChI=1S/C13H21N3O/c1-2-16-10-12(3-4-13(16)17)15-9-11-5-7-14-8-6-11/h3-4,10-11,14-15H,2,5-9H2,1H3
InChIKeyNYLOWFFFPFKEBD-UHFFFAOYSA-N
XLogP1.28
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one?
The IUPAC name of 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one (CID 79707302) is 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one?
The canonical SMILES for 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one is CCn1cc(NCC2CCNCC2)ccc1=O.
What is the InChIKey of 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one?
The InChIKey is NYLOWFFFPFKEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-10-12(3-4-13(16)17)15-9-11-5-7-14-8-6-11/h3-4,10-11,14-15H,2,5-9H2,1H3.
What are the key properties of 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one?
1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one is sourced from PubChem (CID 79707302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).