5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

C18H29N3O2 — CID 24881393

IUPAC5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCCCC2)n(CCN2CCCCC2)cc1O
InChIInChI=1S/C18H29N3O2/c22-17-13-16(14-20-9-5-2-6-10-20)21(15-18(17)23)12-11-19-7-3-1-4-8-19/h13,15,23H,1-12,14H2
InChIKeyPGFKGCXAAGKMSH-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.03
Rot. Bonds5

About 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 24881393) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID24881393
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCCCC2)n(CCN2CCCCC2)cc1O
InChIInChI=1S/C18H29N3O2/c22-17-13-16(14-20-9-5-2-6-10-20)21(15-18(17)23)12-11-19-7-3-1-4-8-19/h13,15,23H,1-12,14H2
InChIKeyPGFKGCXAAGKMSH-UHFFFAOYSA-N
XLogP2.03
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 24881393) is 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is O=c1cc(CN2CCCCC2)n(CCN2CCCCC2)cc1O.
What is the InChIKey of 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is PGFKGCXAAGKMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-17-13-16(14-20-9-5-2-6-10-20)21(15-18(17)23)12-11-19-7-3-1-4-8-19/h13,15,23H,1-12,14H2.
What are the key properties of 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 319.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-piperidin-1-ylethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 24881393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).