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

C15H22N2O4 — CID 72877322

IUPAC3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOCCC1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C15H22N2O4/c1-21-9-6-15(11-18)5-3-8-17(10-15)14(20)12-4-2-7-16-13(12)19/h2,4,7,18H,3,5-6,8-11H2,1H3,(H,16,19)
InChIKeyPKUYZVJCHMOBRW-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.63
Rot. Bonds5

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

3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 72877322) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID72877322
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOCCC1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C15H22N2O4/c1-21-9-6-15(11-18)5-3-8-17(10-15)14(20)12-4-2-7-16-13(12)19/h2,4,7,18H,3,5-6,8-11H2,1H3,(H,16,19)
InChIKeyPKUYZVJCHMOBRW-UHFFFAOYSA-N
XLogP0.63
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 72877322) is 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is COCCC1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PKUYZVJCHMOBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-9-6-15(11-18)5-3-8-17(10-15)14(20)12-4-2-7-16-13(12)19/h2,4,7,18H,3,5-6,8-11H2,1H3,(H,16,19).
What are the key properties of 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 294.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 72877322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).