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

C19H22N2O3 — CID 122255928

IUPAC2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COCc1ccccc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C19H22N2O3/c22-19(15-23-14-16-5-2-1-3-6-16)21-12-4-7-18(13-21)24-17-8-10-20-11-9-17/h1-3,5-6,8-11,18H,4,7,12-15H2
InChIKeySMGIBSUOOBGVED-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.67
Rot. Bonds6

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

2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122255928) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122255928
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COCc1ccccc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C19H22N2O3/c22-19(15-23-14-16-5-2-1-3-6-16)21-12-4-7-18(13-21)24-17-8-10-20-11-9-17/h1-3,5-6,8-11,18H,4,7,12-15H2
InChIKeySMGIBSUOOBGVED-UHFFFAOYSA-N
XLogP2.67
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255775
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 122261520
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
1-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017797
3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
CID 122255705
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017591
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone
CID 154884068

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 122255928) is 2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is O=C(COCc1ccccc1)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is SMGIBSUOOBGVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(15-23-14-16-5-2-1-3-6-16)21-12-4-7-18(13-21)24-17-8-10-20-11-9-17/h1-3,5-6,8-11,18H,4,7,12-15H2.
What are the key properties of 2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122255928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).