1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one

C24H21Cl2F2N3O — CID 23022152

IUPAC1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2c(F)cccc2F)CN1c1c(Cl)cc(NCc2ccccn2)cc1Cl
InChIInChI=1S/C24H21Cl2F2N3O/c25-19-11-17(30-13-16-4-1-2-9-29-16)12-20(26)24(19)31-14-15(7-8-23(31)32)10-18-21(27)5-3-6-22(18)28/h1-6,9,11-12,15,30H,7-8,10,13-14H2
InChIKeyINZYAMBMHZVRDT-UHFFFAOYSA-N
MW476.35 g/mol
LogP6.26
Rot. Bonds6

About 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one

1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one (PubChem CID 23022152) has the molecular formula C24H21Cl2F2N3O and a molecular weight of 476.35 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one
PubChem CID23022152
Molecular FormulaC24H21Cl2F2N3O
Molecular Weight476.35 g/mol
Exact Mass475.10
IUPAC Name1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(Cc2c(F)cccc2F)CN1c1c(Cl)cc(NCc2ccccn2)cc1Cl
InChIInChI=1S/C24H21Cl2F2N3O/c25-19-11-17(30-13-16-4-1-2-9-29-16)12-20(26)24(19)31-14-15(7-8-23(31)32)10-18-21(27)5-3-6-22(18)28/h1-6,9,11-12,15,30H,7-8,10,13-14H2
InChIKeyINZYAMBMHZVRDT-UHFFFAOYSA-N
XLogP6.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.35
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191249
1-(2,6-difluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113192245
N-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-4-hydroxybutanamide
CID 10288669
3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]benzoic acid
CID 23022250
5-[(2,4-difluorophenyl)methyl]-1-(2,6-dimethylphenyl)piperidin-2-one
CID 10172049
1-(2,6-dichlorophenyl)-5-(2-phenylethyl)piperidin-2-one
CID 10125999
1-[2,6-dichloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
CID 91132393
3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62733415
1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682039
3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26215762
3-amino-1-[3,5-dichloro-4-[5-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-1-yl]phenyl]-1-methylurea
CID 10288457
2-(2-chloro-6-fluorophenyl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 155503636

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one (CID 23022152) is 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one is O=C1CCC(Cc2c(F)cccc2F)CN1c1c(Cl)cc(NCc2ccccn2)cc1Cl.
What is the InChIKey of 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one?
The InChIKey is INZYAMBMHZVRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F2N3O/c25-19-11-17(30-13-16-4-1-2-9-29-16)12-20(26)24(19)31-14-15(7-8-23(31)32)10-18-21(27)5-3-6-22(18)28/h1-6,9,11-12,15,30H,7-8,10,13-14H2.
What are the key properties of 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one?
1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one has a molecular weight of 476.35 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(pyridin-2-ylmethylamino)phenyl]-5-[(2,6-difluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 23022152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).