1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one

C15H21NO2 — CID 46743519

IUPAC1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCOc1cccc(C(=O)CCN2CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-14-7-5-6-13(12-14)15(17)8-11-16-9-3-2-4-10-16/h5-7,12H,2-4,8-11H2,1H3
InChIKeyVCAIUQDRKOAHHA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one

1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 46743519) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID46743519
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCOc1cccc(C(=O)CCN2CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-14-7-5-6-13(12-14)15(17)8-11-16-9-3-2-4-10-16/h5-7,12H,2-4,8-11H2,1H3
InChIKeyVCAIUQDRKOAHHA-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
1-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110180457
1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110180814
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one
CID 73213851
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
1-[2-(3-methoxyphenyl)-2-oxoethyl]azepan-2-one
CID 62025171
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one (CID 46743519) is 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one is COc1cccc(C(=O)CCN2CCCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is VCAIUQDRKOAHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-14-7-5-6-13(12-14)15(17)8-11-16-9-3-2-4-10-16/h5-7,12H,2-4,8-11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one?
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 46743519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).