2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone

C19H22N2O3 — CID 122255771

IUPAC2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCCC(Oc3ccncc3)C2)c1
InChIInChI=1S/C19H22N2O3/c1-15-4-2-5-17(12-15)23-14-19(22)21-11-3-6-18(13-21)24-16-7-9-20-10-8-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3
InChIKeyRHJAUYLMSKJGQJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.84
Rot. Bonds5

About 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone

2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122255771) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122255771
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCCC(Oc3ccncc3)C2)c1
InChIInChI=1S/C19H22N2O3/c1-15-4-2-5-17(12-15)23-14-19(22)21-11-3-6-18(13-21)24-16-7-9-20-10-8-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3
InChIKeyRHJAUYLMSKJGQJ-UHFFFAOYSA-N
XLogP2.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256758
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
3-[(3S)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649655
3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649641
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617132
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645154
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122257818
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122256241

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 122255771) is 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is Cc1cccc(OCC(=O)N2CCCC(Oc3ccncc3)C2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is RHJAUYLMSKJGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15-4-2-5-17(12-15)23-14-19(22)21-11-3-6-18(13-21)24-16-7-9-20-10-8-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122255771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).