5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C12H16N2O3 — CID 43133357

IUPAC5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(CO)CC1
InChIInChI=1S/C12H16N2O3/c15-8-9-3-5-14(6-4-9)12(17)10-1-2-11(16)13-7-10/h1-2,7,9,15H,3-6,8H2,(H,13,16)
InChIKeyNRISRUIXDWUFPL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.22
Rot. Bonds2

About 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 43133357) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID43133357
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(CO)CC1
InChIInChI=1S/C12H16N2O3/c15-8-9-3-5-14(6-4-9)12(17)10-1-2-11(16)13-7-10/h1-2,7,9,15H,3-6,8H2,(H,13,16)
InChIKeyNRISRUIXDWUFPL-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 43133357) is 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC(CO)CC1.
What is the InChIKey of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NRISRUIXDWUFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-8-9-3-5-14(6-4-9)12(17)10-1-2-11(16)13-7-10/h1-2,7,9,15H,3-6,8H2,(H,13,16).
What are the key properties of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 43133357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).