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

C18H16Cl2F2N2O — CID 10172756

IUPAC1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESNc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1
InChIInChI=1S/C18H16Cl2F2N2O/c19-14-7-13(23)8-15(20)18(14)24-9-10(1-4-17(24)25)5-11-2-3-12(21)6-16(11)22/h2-3,6-8,10H,1,4-5,9,23H2
InChIKeyBIKGLCPABVOCMB-UHFFFAOYSA-N
MW385.24 g/mol
LogP4.84
Rot. Bonds3

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

1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (PubChem CID 10172756) has the molecular formula C18H16Cl2F2N2O and a molecular weight of 385.24 g/mol. Its IUPAC name is 1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
PubChem CID10172756
Molecular FormulaC18H16Cl2F2N2O
Molecular Weight385.24 g/mol
Exact Mass384.06
IUPAC Name1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESNc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1
InChIInChI=1S/C18H16Cl2F2N2O/c19-14-7-13(23)8-15(20)18(14)24-9-10(1-4-17(24)25)5-11-2-3-12(21)6-16(11)22/h2-3,6-8,10H,1,4-5,9,23H2
InChIKeyBIKGLCPABVOCMB-UHFFFAOYSA-N
XLogP4.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (CID 10172756) is 1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is Nc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The InChIKey is BIKGLCPABVOCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O/c19-14-7-13(23)8-15(20)18(14)24-9-10(1-4-17(24)25)5-11-2-3-12(21)6-16(11)22/h2-3,6-8,10H,1,4-5,9,23H2.
What are the key properties of 1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one has a molecular weight of 385.24 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 10172756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).