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

C16H23NO2 — CID 2984720

IUPAC1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C16H23NO2/c1-13-4-3-10-17(12-13)11-9-16(18)14-5-7-15(19-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyFFWKIXLFUJZJIB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 2984720) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID2984720
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C16H23NO2/c1-13-4-3-10-17(12-13)11-9-16(18)14-5-7-15(19-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyFFWKIXLFUJZJIB-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050418
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82064904
3-(1,4-diazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 82064884
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686
1-(3-ethyl-4-propoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82054261
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876397
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one (CID 2984720) is 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one is COc1ccc(C(=O)CCN2CCCC(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is FFWKIXLFUJZJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-4-3-10-17(12-13)11-9-16(18)14-5-7-15(19-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 2984720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).