fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide

C24H37FN2O — CID 162754729

IUPACfluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1(C(=O)NC2CCNCC2)CC2CCCC(c3ccccc3)(C2)C1.CCF
InChIInChI=1S/C22H32N2O.C2H5F/c1-21(20(25)24-19-9-12-23-13-10-19)14-17-6-5-11-22(15-17,16-21)18-7-3-2-4-8-18;1-2-3/h2-4,7-8,17,19,23H,5-6,9-16H2,1H3,(H,24,25);2H2,1H3
InChIKeyYDWGQPGRMLPSTF-UHFFFAOYSA-N
MW388.57 g/mol
LogP4.76
Rot. Bonds3

About fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide

fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 162754729) has the molecular formula C24H37FN2O and a molecular weight of 388.57 g/mol. Its IUPAC name is fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Namefluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID162754729
Molecular FormulaC24H37FN2O
Molecular Weight388.57 g/mol
Exact Mass388.29
IUPAC Namefluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1(C(=O)NC2CCNCC2)CC2CCCC(c3ccccc3)(C2)C1.CCF
InChIInChI=1S/C22H32N2O.C2H5F/c1-21(20(25)24-19-9-12-23-13-10-19)14-17-6-5-11-22(15-17,16-21)18-7-3-2-4-8-18;1-2-3/h2-4,7-8,17,19,23H,5-6,9-16H2,1H3,(H,24,25);2H2,1H3
InChIKeyYDWGQPGRMLPSTF-UHFFFAOYSA-N
XLogP4.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754696
3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525913
(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519787
N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;fluoroethane
CID 142520005
(3S,5S)-3-(fluoromethyl)-5-phenyl-N-piperidin-4-yladamantane-1-carboxamide
CID 137435864
N-[4-(aminomethyl)cyclohexyl]-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519882
N-(3,3-difluoropiperidin-4-yl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide;ethane
CID 142519896
(7S)-N-(3,3-dimethylpiperidin-4-yl)-7-(ethoxymethyl)-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519870
(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
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
(3S)-5-(fluoromethyl)-3-phenyl-N-piperidin-4-yltricyclo[3.3.1.03,7]nonane-1-carboxamide
CID 166908966

Frequently Asked Questions

What is the IUPAC name of fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide (CID 162754729) is fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide is CC1(C(=O)NC2CCNCC2)CC2CCCC(c3ccccc3)(C2)C1.CCF.
What is the InChIKey of fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is YDWGQPGRMLPSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.C2H5F/c1-21(20(25)24-19-9-12-23-13-10-19)14-17-6-5-11-22(15-17,16-21)18-7-3-2-4-8-18;1-2-3/h2-4,7-8,17,19,23H,5-6,9-16H2,1H3,(H,24,25);2H2,1H3.
What are the key properties of fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide?
fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 388.57 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;3-methyl-1-phenyl-N-piperidin-4-ylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 162754729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).