2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one

C16H23NO3 — CID 2952398

IUPAC2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-12-8-10-17(11-9-12)16(18)13(2)20-15-6-4-14(19-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3
InChIKeyKJNBRWCWLGTUOI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one

2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 2952398) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID2952398
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-12-8-10-17(11-9-12)16(18)13(2)20-15-6-4-14(19-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3
InChIKeyKJNBRWCWLGTUOI-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 2952398) is 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one is COc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is KJNBRWCWLGTUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-8-10-17(11-9-12)16(18)13(2)20-15-6-4-14(19-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 2952398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).