2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one

C19H22N2O3 — CID 71798614

IUPAC2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C19H22N2O3/c1-15(23-16-7-3-2-4-8-16)19(22)21-13-10-17(11-14-21)24-18-9-5-6-12-20-18/h2-9,12,15,17H,10-11,13-14H2,1H3
InChIKeyLXUAABFKCKIWMG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.92
Rot. Bonds5

About 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one

2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one (PubChem CID 71798614) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
PubChem CID71798614
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C19H22N2O3/c1-15(23-16-7-3-2-4-8-16)19(22)21-13-10-17(11-14-21)24-18-9-5-6-12-20-18/h2-9,12,15,17H,10-11,13-14H2,1H3
InChIKeyLXUAABFKCKIWMG-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
CID 121161322
(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
CID 97104981
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 100626242
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
3-[1-(2-phenoxypropanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636556
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one (CID 71798614) is 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one is CC(Oc1ccccc1)C(=O)N1CCC(Oc2ccccn2)CC1.
What is the InChIKey of 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one?
The InChIKey is LXUAABFKCKIWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15(23-16-7-3-2-4-8-16)19(22)21-13-10-17(11-14-21)24-18-9-5-6-12-20-18/h2-9,12,15,17H,10-11,13-14H2,1H3.
What are the key properties of 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one?
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 71798614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).