5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide

C20H24F2N2O2 — CID 95707342

IUPAC5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccc(F)cc3F)C2)o1
InChIInChI=1S/C20H24F2N2O2/c1-23-20(25)19-9-8-17(26-19)13-24-10-2-3-14(12-24)4-5-15-6-7-16(21)11-18(15)22/h6-9,11,14H,2-5,10,12-13H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyUHRHWRIMSAQSAC-AWEZNQCLSA-N
MW362.42 g/mol
LogP3.76
Rot. Bonds6

About 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide

5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide (PubChem CID 95707342) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
PubChem CID95707342
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccc(F)cc3F)C2)o1
InChIInChI=1S/C20H24F2N2O2/c1-23-20(25)19-9-8-17(26-19)13-24-10-2-3-14(12-24)4-5-15-6-7-16(21)11-18(15)22/h6-9,11,14H,2-5,10,12-13H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyUHRHWRIMSAQSAC-AWEZNQCLSA-N
XLogP3.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.76
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
N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
CID 95708474
3-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 56906622
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723823
1-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56880670
5-[[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95727440
3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 45195941
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
1-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-hydroxyethanone
CID 95550338
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
2-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propane-1,3-diol
CID 95550680
N-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 45235185

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide (CID 95707342) is 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccc(F)cc3F)C2)o1.
What is the InChIKey of 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is UHRHWRIMSAQSAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-23-20(25)19-9-8-17(26-19)13-24-10-2-3-14(12-24)4-5-15-6-7-16(21)11-18(15)22/h6-9,11,14H,2-5,10,12-13H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide?
5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 95707342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).