(3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide

C23H27F3N2O2 — CID 56859409

IUPAC(3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccccc2)C1
InChIInChI=1S/C23H27F3N2O2/c1-27(2)22(29)19-11-18(14-28(15-19)13-17-7-4-3-5-8-17)16-30-21-10-6-9-20(12-21)23(24,25)26/h3-10,12,18-19H,11,13-16H2,1-2H3/t18-,19+/m0/s1
InChIKeyFTDUDMPPSSTIQM-RBUKOAKNSA-N
MW420.48 g/mol
LogP4.31
Rot. Bonds6

About (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide

(3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide (PubChem CID 56859409) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
PubChem CID56859409
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name(3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccccc2)C1
InChIInChI=1S/C23H27F3N2O2/c1-27(2)22(29)19-11-18(14-28(15-19)13-17-7-4-3-5-8-17)16-30-21-10-6-9-20(12-21)23(24,25)26/h3-10,12,18-19H,11,13-16H2,1-2H3/t18-,19+/m0/s1
InChIKeyFTDUDMPPSSTIQM-RBUKOAKNSA-N
XLogP4.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-1-(pyridin-4-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-3-yl]methanone
CID 56855053
(3R,5S)-1-[(3,4-dimethoxyphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56856122
(3R,5S)-1-[(3,4-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
CID 56853304
(3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N,N-dimethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56857375
[3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-1-(2-methylpropyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-3-yl]methanone
CID 56853859
[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857620
1-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
CID 176930406
(3R,4R)-1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol;oxalic acid
CID 70454092
1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320253
N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide
CID 176930854
(3R,5S)-N-[(3,4-dimethoxyphenyl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
CID 56855813
[(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857310

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide (CID 56859409) is (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide is CN(C)C(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccccc2)C1.
What is the InChIKey of (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide?
The InChIKey is FTDUDMPPSSTIQM-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-27(2)22(29)19-11-18(14-28(15-19)13-17-7-4-3-5-8-17)16-30-21-10-6-9-20(12-21)23(24,25)26/h3-10,12,18-19H,11,13-16H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide?
(3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56859409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).