1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

C17H26N2O3 — CID 94959006

IUPAC1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CO)n(C2CCCC2)c(CN2CCCCC2)c1O
InChIInChI=1S/C17H26N2O3/c20-12-14-10-16(21)17(22)15(11-18-8-4-1-5-9-18)19(14)13-6-2-3-7-13/h10,13,20,22H,1-9,11-12H2
InChIKeyIRQZCDXUYMOZQC-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.15
Rot. Bonds4

About 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one

1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 94959006) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID94959006
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CO)n(C2CCCC2)c(CN2CCCCC2)c1O
InChIInChI=1S/C17H26N2O3/c20-12-14-10-16(21)17(22)15(11-18-8-4-1-5-9-18)19(14)13-6-2-3-7-13/h10,13,20,22H,1-9,11-12H2
InChIKeyIRQZCDXUYMOZQC-UHFFFAOYSA-N
XLogP2.15
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 94959006) is 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is O=c1cc(CO)n(C2CCCC2)c(CN2CCCCC2)c1O.
What is the InChIKey of 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is IRQZCDXUYMOZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-12-14-10-16(21)17(22)15(11-18-8-4-1-5-9-18)19(14)13-6-2-3-7-13/h10,13,20,22H,1-9,11-12H2.
What are the key properties of 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one?
1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 306.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94959006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).