3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C14H20N2O3 — CID 43572809

IUPAC3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCCC2CO)c(=O)[nH]1
InChIInChI=1S/C14H20N2O3/c1-9-7-10(2)15-13(18)12(9)14(19)16-6-4-3-5-11(16)8-17/h7,11,17H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyCPAULJTWQRSOQO-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.98
Rot. Bonds2

About 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 43572809) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID43572809
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCCCC2CO)c(=O)[nH]1
InChIInChI=1S/C14H20N2O3/c1-9-7-10(2)15-13(18)12(9)14(19)16-6-4-3-5-11(16)8-17/h7,11,17H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyCPAULJTWQRSOQO-UHFFFAOYSA-N
XLogP0.98
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 43572809) is 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCCCC2CO)c(=O)[nH]1.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is CPAULJTWQRSOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-10(2)15-13(18)12(9)14(19)16-6-4-3-5-11(16)8-17/h7,11,17H,3-6,8H2,1-2H3,(H,15,18).
What are the key properties of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.98, 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]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 43572809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).