3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C12H16N2O3 — CID 54878359

IUPAC3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(CO)CC1
InChIInChI=1S/C12H16N2O3/c15-8-9-3-6-14(7-4-9)12(17)10-2-1-5-13-11(10)16/h1-2,5,9,15H,3-4,6-8H2,(H,13,16)
InChIKeySAQSMLLZFQZRAQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.22
Rot. Bonds2

About 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 54878359) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID54878359
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(CO)CC1
InChIInChI=1S/C12H16N2O3/c15-8-9-3-6-14(7-4-9)12(17)10-2-1-5-13-11(10)16/h1-2,5,9,15H,3-4,6-8H2,(H,13,16)
InChIKeySAQSMLLZFQZRAQ-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 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 54878359) is 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCC(CO)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SAQSMLLZFQZRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-8-9-3-6-14(7-4-9)12(17)10-2-1-5-13-11(10)16/h1-2,5,9,15H,3-4,6-8H2,(H,13,16).
What are the key properties of 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[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 3-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 54878359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).