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

C19H22N2O4 — CID 70778695

IUPAC5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCOc1ccccc1OC1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1
InChIInChI=1S/C19H22N2O4/c1-13-11-16(22)15(12-20-13)19(23)21-9-7-14(8-10-21)25-18-6-4-3-5-17(18)24-2/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,22)
InChIKeyWPHRFLYPIGOEJW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.38
Rot. Bonds4

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

5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (PubChem CID 70778695) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
PubChem CID70778695
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCOc1ccccc1OC1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1
InChIInChI=1S/C19H22N2O4/c1-13-11-16(22)15(12-20-13)19(23)21-9-7-14(8-10-21)25-18-6-4-3-5-17(18)24-2/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,22)
InChIKeyWPHRFLYPIGOEJW-UHFFFAOYSA-N
XLogP2.38
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70758566
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70717882
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 95872118
methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 103717650
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717991
6-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]piperazin-2-one
CID 70743927
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
CID 54508259
2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103832228

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (CID 70778695) is 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is COc1ccccc1OC1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The InChIKey is WPHRFLYPIGOEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-11-16(22)15(12-20-13)19(23)21-9-7-14(8-10-21)25-18-6-4-3-5-17(18)24-2/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,22).
What are the key properties of 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one has a molecular weight of 342.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 70778695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).