[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate

C20H22N2O4 — CID 55355379

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2cccnc2Oc2ccccc2)C1
InChIInChI=1S/C20H22N2O4/c1-15-7-6-12-22(13-15)18(23)14-25-20(24)17-10-5-11-21-19(17)26-16-8-3-2-4-9-16/h2-5,8-11,15H,6-7,12-14H2,1H3
InChIKeyUJHQXRRCZDCFLI-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.29
Rot. Bonds5

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate (PubChem CID 55355379) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
PubChem CID55355379
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2cccnc2Oc2ccccc2)C1
InChIInChI=1S/C20H22N2O4/c1-15-7-6-12-22(13-15)18(23)14-25-20(24)17-10-5-11-21-19(17)26-16-8-3-2-4-9-16/h2-5,8-11,15H,6-7,12-14H2,1H3
InChIKeyUJHQXRRCZDCFLI-UHFFFAOYSA-N
XLogP3.29
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 23860033
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 18080738
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 17409284
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
CID 60591153
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2352452
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840667
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 46639537
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969917
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078989
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 4878205
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 9107081

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate (CID 55355379) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate is CC1CCCN(C(=O)COC(=O)c2cccnc2Oc2ccccc2)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
The InChIKey is UJHQXRRCZDCFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15-7-6-12-22(13-15)18(23)14-25-20(24)17-10-5-11-21-19(17)26-16-8-3-2-4-9-16/h2-5,8-11,15H,6-7,12-14H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 55355379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).