1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one

C15H21NO2 — CID 70542722

IUPAC1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(N2CCC(OC)CC2)c1
InChIInChI=1S/C15H21NO2/c1-3-15(17)12-5-4-6-13(11-12)16-9-7-14(18-2)8-10-16/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyZLGAYIVFQMLHDJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.89
Rot. Bonds4

About 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one

1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one (PubChem CID 70542722) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one
PubChem CID70542722
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(N2CCC(OC)CC2)c1
InChIInChI=1S/C15H21NO2/c1-3-15(17)12-5-4-6-13(11-12)16-9-7-14(18-2)8-10-16/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyZLGAYIVFQMLHDJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
CID 21114970
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 60873455
1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one
CID 122412871
3-methyl-1-[4-(3-propanoylphenyl)piperazin-1-yl]butan-1-one
CID 166101353
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869
1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
CID 62628820
ethyl 2-[1-(3-acetylphenyl)piperidin-4-yl]acetate
CID 91526545
methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
CID 113078439
ethyl 3-[4-(1-phenylethyl)piperidin-1-yl]benzoate
CID 70200665
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
methyl 1-(3-acetylphenyl)pyrrolidine-3-carboxylate
CID 117028370

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one (CID 70542722) is 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one is CCC(=O)c1cccc(N2CCC(OC)CC2)c1.
What is the InChIKey of 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one?
The InChIKey is ZLGAYIVFQMLHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(17)12-5-4-6-13(11-12)16-9-7-14(18-2)8-10-16/h4-6,11,14H,3,7-10H2,1-2H3.
What are the key properties of 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one?
1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 70542722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).