N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide

C21H25F3N2O2 — CID 95708474

IUPACN-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)o1
InChIInChI=1S/C21H25F3N2O2/c1-25-20(27)19-11-10-17(28-19)14-26-12-4-5-15(13-26)8-9-16-6-2-3-7-18(16)21(22,23)24/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyNVCOIOAIBLFEFX-HNNXBMFYSA-N
MW394.44 g/mol
LogP4.50
Rot. Bonds6

About N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide

N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide (PubChem CID 95708474) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
PubChem CID95708474
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)o1
InChIInChI=1S/C21H25F3N2O2/c1-25-20(27)19-11-10-17(28-19)14-26-12-4-5-15(13-26)8-9-16-6-2-3-7-18(16)21(22,23)24/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyNVCOIOAIBLFEFX-HNNXBMFYSA-N
XLogP4.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95712924
5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95707342
N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 95714450
N-methyl-N-propan-2-yl-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 56915391
4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 95545419
N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide
CID 95720669
N-ethyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95553794
5-methyl-3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95722364
(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine
CID 95558692

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide (CID 95708474) is N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide is CNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)o1.
What is the InChIKey of N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is NVCOIOAIBLFEFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c1-25-20(27)19-11-10-17(28-19)14-26-12-4-5-15(13-26)8-9-16-6-2-3-7-18(16)21(22,23)24/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide?
N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 95708474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).