1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one

C19H17Cl2F2NO — CID 10150537

IUPAC1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one
SMILESCC1CC(Cc2ccc(F)cc2F)CN(c2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C19H17Cl2F2NO/c1-11-7-12(8-13-5-6-14(22)9-17(13)23)10-24(19(11)25)18-15(20)3-2-4-16(18)21/h2-6,9,11-12H,7-8,10H2,1H3
InChIKeyVZFNNNYCXAWVQE-UHFFFAOYSA-N
MW384.25 g/mol
LogP5.50
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one

1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one (PubChem CID 10150537) has the molecular formula C19H17Cl2F2NO and a molecular weight of 384.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one
PubChem CID10150537
Molecular FormulaC19H17Cl2F2NO
Molecular Weight384.25 g/mol
Exact Mass383.07
IUPAC Name1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one
SMILESCC1CC(Cc2ccc(F)cc2F)CN(c2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C19H17Cl2F2NO/c1-11-7-12(8-13-5-6-14(22)9-17(13)23)10-24(19(11)25)18-15(20)3-2-4-16(18)21/h2-6,9,11-12H,7-8,10H2,1H3
InChIKeyVZFNNNYCXAWVQE-UHFFFAOYSA-N
XLogP5.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.25
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one (CID 10150537) is 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one is CC1CC(Cc2ccc(F)cc2F)CN(c2c(Cl)cccc2Cl)C1=O.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one?
The InChIKey is VZFNNNYCXAWVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2NO/c1-11-7-12(8-13-5-6-14(22)9-17(13)23)10-24(19(11)25)18-15(20)3-2-4-16(18)21/h2-6,9,11-12H,7-8,10H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one?
1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one has a molecular weight of 384.25 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 10150537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).