3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C12H16N2O3 — CID 43421645

IUPAC3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCCC1CO
InChIInChI=1S/C12H16N2O3/c15-8-9-4-1-2-7-14(9)12(17)10-5-3-6-13-11(10)16/h3,5-6,9,15H,1-2,4,7-8H2,(H,13,16)
InChIKeyCYVDBNYDHZOZLM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.36
Rot. Bonds2

About 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 43421645) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID43421645
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCCC1CO
InChIInChI=1S/C12H16N2O3/c15-8-9-4-1-2-7-14(9)12(17)10-5-3-6-13-11(10)16/h3,5-6,9,15H,1-2,4,7-8H2,(H,13,16)
InChIKeyCYVDBNYDHZOZLM-UHFFFAOYSA-N
XLogP0.36
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 43421645) is 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCCCC1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is CYVDBNYDHZOZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-8-9-4-1-2-7-14(9)12(17)10-5-3-6-13-11(10)16/h3,5-6,9,15H,1-2,4,7-8H2,(H,13,16).
What are the key properties of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 43421645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).