N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane

C25H38F2N2O — CID 142519896

IUPACN-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane
SMILESCC.CC1CC2CC(C)(C(=O)NC3CCNCC3(F)F)CC(c3ccccc3)(C1)C2
InChIInChI=1S/C23H32F2N2O.C2H6/c1-16-10-17-12-21(2,20(28)27-19-8-9-26-15-23(19,24)25)14-22(11-16,13-17)18-6-4-3-5-7-18;1-2/h3-7,16-17,19,26H,8-15H2,1-2H3,(H,27,28);1-2H3
InChIKeyAZRDAVMEXUHOMP-UHFFFAOYSA-N
MW420.59 g/mol
LogP5.30
Rot. Bonds3

About N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane

N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane (PubChem CID 142519896) has the molecular formula C25H38F2N2O and a molecular weight of 420.59 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane
PubChem CID142519896
Molecular FormulaC25H38F2N2O
Molecular Weight420.59 g/mol
Exact Mass420.30
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane
SMILESCC.CC1CC2CC(C)(C(=O)NC3CCNCC3(F)F)CC(c3ccccc3)(C1)C2
InChIInChI=1S/C23H32F2N2O.C2H6/c1-16-10-17-12-21(2,20(28)27-19-8-9-26-15-23(19,24)25)14-22(11-16,13-17)18-6-4-3-5-7-18;1-2/h3-7,16-17,19,26H,8-15H2,1-2H3,(H,27,28);1-2H3
InChIKeyAZRDAVMEXUHOMP-UHFFFAOYSA-N
XLogP5.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.59
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane with MolForge

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Related Compounds

N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;fluoroethane
CID 142520005
3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525913
(7S)-N-(3,3-dimethylpiperidin-4-yl)-7-(ethoxymethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519870
3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 137435973
(3R,5R)-N-(3,3-dimethylpiperidin-4-yl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137436163
fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754729
(5R)-N-(3,3-dimethylpiperidin-4-yl)-3-ethyl-5-phenyladamantane-1-carboxamide
CID 137436159
(3S,5R)-N-(3,3-difluoropiperidin-4-yl)-5-ethyl-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
CID 162611286
N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754696
chloroethane;N-[1-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)ethenyl]cyclohexanamine;methanamine
CID 142519904
2-(3,7-dimethyl-1-phenyl-3-bicyclo[3.3.1]nonanyl)-N-ethylacetamide
CID 130268861
(7S)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-(fluoromethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519816

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane (CID 142519896) is N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane is CC.CC1CC2CC(C)(C(=O)NC3CCNCC3(F)F)CC(c3ccccc3)(C1)C2.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane?
The InChIKey is AZRDAVMEXUHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N2O.C2H6/c1-16-10-17-12-21(2,20(28)27-19-8-9-26-15-23(19,24)25)14-22(11-16,13-17)18-6-4-3-5-7-18;1-2/h3-7,16-17,19,26H,8-15H2,1-2H3,(H,27,28);1-2H3.
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane?
N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane has a molecular weight of 420.59 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane is sourced from PubChem (CID 142519896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).