1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one

C19H17Cl2F2NO2 — CID 23022202

IUPAC1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one
SMILESCOC(c1ccc(F)cc1F)C1CCC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H17Cl2F2NO2/c1-26-19(13-7-6-12(22)9-16(13)23)11-5-8-17(25)24(10-11)18-14(20)3-2-4-15(18)21/h2-4,6-7,9,11,19H,5,8,10H2,1H3
InChIKeyJFTQRFXVUSYFLU-UHFFFAOYSA-N
MW400.25 g/mol
LogP5.40
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one

1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one (PubChem CID 23022202) has the molecular formula C19H17Cl2F2NO2 and a molecular weight of 400.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one
PubChem CID23022202
Molecular FormulaC19H17Cl2F2NO2
Molecular Weight400.25 g/mol
Exact Mass399.06
IUPAC Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one
SMILESCOC(c1ccc(F)cc1F)C1CCC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H17Cl2F2NO2/c1-26-19(13-7-6-12(22)9-16(13)23)11-5-8-17(25)24(10-11)18-14(20)3-2-4-15(18)21/h2-4,6-7,9,11,19H,5,8,10H2,1H3
InChIKeyJFTQRFXVUSYFLU-UHFFFAOYSA-N
XLogP5.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.25
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one (CID 23022202) is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one is COC(c1ccc(F)cc1F)C1CCC(=O)N(c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one?
The InChIKey is JFTQRFXVUSYFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2NO2/c1-26-19(13-7-6-12(22)9-16(13)23)11-5-8-17(25)24(10-11)18-14(20)3-2-4-15(18)21/h2-4,6-7,9,11,19H,5,8,10H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one?
1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one has a molecular weight of 400.25 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)-methoxymethyl]piperidin-2-one is sourced from PubChem (CID 23022202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).