N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide

C22H25F3N2O2 — CID 134803471

IUPACN-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCC(F)F)cc1
InChIInChI=1S/C22H25F3N2O2/c1-29-20-10-9-17(23)12-18(20)16-7-5-15(6-8-16)14-27-11-3-2-4-19(27)22(28)26-13-21(24)25/h5-10,12,19,21H,2-4,11,13-14H2,1H3,(H,26,28)
InChIKeyFDIOWXPEHPHLOX-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.24
Rot. Bonds7

About N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide

N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 134803471) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID134803471
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCC(F)F)cc1
InChIInChI=1S/C22H25F3N2O2/c1-29-20-10-9-17(23)12-18(20)16-7-5-15(6-8-16)14-27-11-3-2-4-19(27)22(28)26-13-21(24)25/h5-10,12,19,21H,2-4,11,13-14H2,1H3,(H,26,28)
InChIKeyFDIOWXPEHPHLOX-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide (CID 134803471) is N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide is COc1ccc(F)cc1-c1ccc(CN2CCCCC2C(=O)NCC(F)F)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is FDIOWXPEHPHLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-29-20-10-9-17(23)12-18(20)16-7-5-15(6-8-16)14-27-11-3-2-4-19(27)22(28)26-13-21(24)25/h5-10,12,19,21H,2-4,11,13-14H2,1H3,(H,26,28).
What are the key properties of N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide?
N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134803471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).