1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one

C18H22N2O2 — CID 10086054

IUPAC1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCCCC2)ccn1Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c21-17-16(14-19-10-5-2-6-11-19)9-12-20(18(17)22)13-15-7-3-1-4-8-15/h1,3-4,7-9,12,21H,2,5-6,10-11,13-14H2
InChIKeyWCLXIBBBOVIMOI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.59
Rot. Bonds4

About 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one

1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one (PubChem CID 10086054) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one
PubChem CID10086054
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one
SMILESO=c1c(O)c(CN2CCCCC2)ccn1Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c21-17-16(14-19-10-5-2-6-11-19)9-12-20(18(17)22)13-15-7-3-1-4-8-15/h1,3-4,7-9,12,21H,2,5-6,10-11,13-14H2
InChIKeyWCLXIBBBOVIMOI-UHFFFAOYSA-N
XLogP2.59
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one (CID 10086054) is 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one is O=c1c(O)c(CN2CCCCC2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one?
The InChIKey is WCLXIBBBOVIMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17-16(14-19-10-5-2-6-11-19)9-12-20(18(17)22)13-15-7-3-1-4-8-15/h1,3-4,7-9,12,21H,2,5-6,10-11,13-14H2.
What are the key properties of 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one?
1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-(piperidin-1-ylmethyl)pyridin-2-one is sourced from PubChem (CID 10086054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).