3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide

C13H19N3O2 — CID 84528946

IUPAC3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccnc1)N1CCCC(CO)C1
InChIInChI=1S/C13H19N3O2/c17-10-12-4-2-6-16(9-12)13(18)15-8-11-3-1-5-14-7-11/h1,3,5,7,12,17H,2,4,6,8-10H2,(H,15,18)
InChIKeyQYKJRCCSSBOQJV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.00
Rot. Bonds3

About 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 84528946) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
PubChem CID84528946
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccnc1)N1CCCC(CO)C1
InChIInChI=1S/C13H19N3O2/c17-10-12-4-2-6-16(9-12)13(18)15-8-11-3-1-5-14-7-11/h1,3,5,7,12,17H,2,4,6,8-10H2,(H,15,18)
InChIKeyQYKJRCCSSBOQJV-UHFFFAOYSA-N
XLogP1.00
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide (CID 84528946) is 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide is O=C(NCc1cccnc1)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is QYKJRCCSSBOQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-10-12-4-2-6-16(9-12)13(18)15-8-11-3-1-5-14-7-11/h1,3,5,7,12,17H,2,4,6,8-10H2,(H,15,18).
What are the key properties of 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 84528946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).