3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one

C21H25NO3 — CID 110396740

IUPAC3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-24-20-10-6-5-7-17(20)11-12-21(23)22-15-13-19(14-16-22)25-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3
InChIKeyLGLYJQKKONQVPV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.70
Rot. Bonds6

About 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one

3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one (PubChem CID 110396740) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
PubChem CID110396740
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-24-20-10-6-5-7-17(20)11-12-21(23)22-15-13-19(14-16-22)25-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3
InChIKeyLGLYJQKKONQVPV-UHFFFAOYSA-N
XLogP3.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119517304
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
3-(2-aminophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 120609194
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110708802
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2-methoxyphenyl)propan-1-one
CID 119635537
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 56861948

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one (CID 110396740) is 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one is COc1ccccc1CCC(=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one?
The InChIKey is LGLYJQKKONQVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-20-10-6-5-7-17(20)11-12-21(23)22-15-13-19(14-16-22)25-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one?
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110396740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).