5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one

C21H24FNO3 — CID 69048752

IUPAC5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one
SMILESCCOc1cc(C2CNC(=O)C(Cc3ccc(F)cc3)C2)ccc1OC
InChIInChI=1S/C21H24FNO3/c1-3-26-20-12-15(6-9-19(20)25-2)17-11-16(21(24)23-13-17)10-14-4-7-18(22)8-5-14/h4-9,12,16-17H,3,10-11,13H2,1-2H3,(H,23,24)
InChIKeyMHGZMZLSCUDNPH-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.70
Rot. Bonds6

About 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one

5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one (PubChem CID 69048752) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one
PubChem CID69048752
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one
SMILESCCOc1cc(C2CNC(=O)C(Cc3ccc(F)cc3)C2)ccc1OC
InChIInChI=1S/C21H24FNO3/c1-3-26-20-12-15(6-9-19(20)25-2)17-11-16(21(24)23-13-17)10-14-4-7-18(22)8-5-14/h4-9,12,16-17H,3,10-11,13H2,1-2H3,(H,23,24)
InChIKeyMHGZMZLSCUDNPH-UHFFFAOYSA-N
XLogP3.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one (CID 69048752) is 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one is CCOc1cc(C2CNC(=O)C(Cc3ccc(F)cc3)C2)ccc1OC.
What is the InChIKey of 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one?
The InChIKey is MHGZMZLSCUDNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-3-26-20-12-15(6-9-19(20)25-2)17-11-16(21(24)23-13-17)10-14-4-7-18(22)8-5-14/h4-9,12,16-17H,3,10-11,13H2,1-2H3,(H,23,24).
What are the key properties of 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one?
5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one has a molecular weight of 357.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-4-methoxyphenyl)-3-[(4-fluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 69048752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).