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

C21H25NO3 — CID 110605422

IUPAC3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC(Oc3ccccc3)C2)cc1
InChIInChI=1S/C21H25NO3/c1-24-18-12-9-17(10-13-18)11-14-21(23)22-15-5-8-20(16-22)25-19-6-3-2-4-7-19/h2-4,6-7,9-10,12-13,20H,5,8,11,14-16H2,1H3
InChIKeyXICQCGNYJQFOLM-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.70
Rot. Bonds6

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

3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one (PubChem CID 110605422) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
PubChem CID110605422
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCCC(Oc3ccccc3)C2)cc1
InChIInChI=1S/C21H25NO3/c1-24-18-12-9-17(10-13-18)11-14-21(23)22-15-5-8-20(16-22)25-19-6-3-2-4-7-19/h2-4,6-7,9-10,12-13,20H,5,8,11,14-16H2,1H3
InChIKeyXICQCGNYJQFOLM-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

3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 62535020
1-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 75770583
3-(4-methoxyphenyl)-1-[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]propan-1-one
CID 45167786
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 94202656
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one (CID 110605422) is 3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one is COc1ccc(CCC(=O)N2CCCC(Oc3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one?
The InChIKey is XICQCGNYJQFOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-18-12-9-17(10-13-18)11-14-21(23)22-15-5-8-20(16-22)25-19-6-3-2-4-7-19/h2-4,6-7,9-10,12-13,20H,5,8,11,14-16H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(3-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-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110605422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).