1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one

C16H23NO3 — CID 102960681

IUPAC1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCCC(OC)C2)cc1
InChIInChI=1S/C16H23NO3/c1-12(17-10-4-5-15(11-17)20-3)16(18)13-6-8-14(19-2)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyHBUSWHCPYQWKOK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one

1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one (PubChem CID 102960681) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
PubChem CID102960681
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCCC(OC)C2)cc1
InChIInChI=1S/C16H23NO3/c1-12(17-10-4-5-15(11-17)20-3)16(18)13-6-8-14(19-2)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyHBUSWHCPYQWKOK-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031
1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 62029422
2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62931770
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 115965576
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
2-(4-aminopiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62029201
2-(2,3-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62125367
1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960650

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one (CID 102960681) is 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one is COc1ccc(C(=O)C(C)N2CCCC(OC)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is HBUSWHCPYQWKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(17-10-4-5-15(11-17)20-3)16(18)13-6-8-14(19-2)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one?
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 102960681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).