3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one

C23H29NO3 — CID 123795982

IUPAC3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(Oc2c(C)cc(CCC(=O)N3CCCCC3)cc2C)cc1
InChIInChI=1S/C23H29NO3/c1-17-15-19(7-12-22(25)24-13-5-4-6-14-24)16-18(2)23(17)27-21-10-8-20(26-3)9-11-21/h8-11,15-16H,4-7,12-14H2,1-3H3
InChIKeyFSYZYHBJLVKFLF-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.05
Rot. Bonds6

About 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one

3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one (PubChem CID 123795982) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one
PubChem CID123795982
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(Oc2c(C)cc(CCC(=O)N3CCCCC3)cc2C)cc1
InChIInChI=1S/C23H29NO3/c1-17-15-19(7-12-22(25)24-13-5-4-6-14-24)16-18(2)23(17)27-21-10-8-20(26-3)9-11-21/h8-11,15-16H,4-7,12-14H2,1-3H3
InChIKeyFSYZYHBJLVKFLF-UHFFFAOYSA-N
XLogP5.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154
1-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 60619014
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 145472611
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
3-(3,5-dimethoxyphenyl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 31797364
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110645765
3-(4-methoxyphenyl)-1-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119311324
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110611368

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one (CID 123795982) is 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one is COc1ccc(Oc2c(C)cc(CCC(=O)N3CCCCC3)cc2C)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is FSYZYHBJLVKFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17-15-19(7-12-22(25)24-13-5-4-6-14-24)16-18(2)23(17)27-21-10-8-20(26-3)9-11-21/h8-11,15-16H,4-7,12-14H2,1-3H3.
What are the key properties of 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one?
3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 367.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 123795982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).