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

C18H15Cl2F2NO — CID 10172523

IUPAC1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2ccc(F)cc2F)CN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H15Cl2F2NO/c19-13-6-14(20)8-16(7-13)23-10-11(1-4-18(23)24)5-12-2-3-15(21)9-17(12)22/h2-3,6-9,11H,1,4-5,10H2
InChIKeyVHAAGOOABFRMHH-UHFFFAOYSA-N
MW370.23 g/mol
LogP5.26
Rot. Bonds3

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

1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (PubChem CID 10172523) has the molecular formula C18H15Cl2F2NO and a molecular weight of 370.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
PubChem CID10172523
Molecular FormulaC18H15Cl2F2NO
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC Name1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2ccc(F)cc2F)CN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H15Cl2F2NO/c19-13-6-14(20)8-16(7-13)23-10-11(1-4-18(23)24)5-12-2-3-15(21)9-17(12)22/h2-3,6-9,11H,1,4-5,10H2
InChIKeyVHAAGOOABFRMHH-UHFFFAOYSA-N
XLogP5.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.23
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (CID 10172523) is 1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is O=C1CCC(Cc2ccc(F)cc2F)CN1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The InChIKey is VHAAGOOABFRMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F2NO/c19-13-6-14(20)8-16(7-13)23-10-11(1-4-18(23)24)5-12-2-3-15(21)9-17(12)22/h2-3,6-9,11H,1,4-5,10H2.
What are the key properties of 1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one has a molecular weight of 370.23 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 10172523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).