1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one

C20H23NO2 — CID 71325657

IUPAC1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one
SMILESO=C(COc1ccccc1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c22-19(16-23-20-9-5-2-6-10-20)15-21-13-11-18(12-14-21)17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyXOWKTNGLOVBSPZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.51
Rot. Bonds6

About 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one

1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one (PubChem CID 71325657) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one
PubChem CID71325657
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one
SMILESO=C(COc1ccccc1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c22-19(16-23-20-9-5-2-6-10-20)15-21-13-11-18(12-14-21)17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyXOWKTNGLOVBSPZ-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 51688220
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
CID 67794190
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
N-(4-hydroxyphenyl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 47021714
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one?
The IUPAC name of 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one (CID 71325657) is 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one.
What is the SMILES notation for 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one?
The canonical SMILES for 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one is O=C(COc1ccccc1)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one?
The InChIKey is XOWKTNGLOVBSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-19(16-23-20-9-5-2-6-10-20)15-21-13-11-18(12-14-21)17-7-3-1-4-8-17/h1-10,18H,11-16H2.
What are the key properties of 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one?
1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-(4-phenylpiperidin-1-yl)propan-2-one is sourced from PubChem (CID 71325657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).