3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

C18H22F2N4O2 — CID 56914557

IUPAC3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN2CCCC(CCc3c(F)cccc3F)C2)no1
InChIInChI=1S/C18H22F2N4O2/c1-21-17(25)18-22-16(23-26-18)11-24-9-3-4-12(10-24)7-8-13-14(19)5-2-6-15(13)20/h2,5-6,12H,3-4,7-11H2,1H3,(H,21,25)
InChIKeyCWHSMPDLCJVTBO-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.55
Rot. Bonds6

About 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 56914557) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID56914557
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN2CCCC(CCc3c(F)cccc3F)C2)no1
InChIInChI=1S/C18H22F2N4O2/c1-21-17(25)18-22-16(23-26-18)11-24-9-3-4-12(10-24)7-8-13-14(19)5-2-6-15(13)20/h2,5-6,12H,3-4,7-11H2,1H3,(H,21,25)
InChIKeyCWHSMPDLCJVTBO-UHFFFAOYSA-N
XLogP2.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95727068
5-[[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine
CID 95556773
N-methyl-5-[[(3R)-3-(2-phenylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95711517
5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95712924
2-[4-[[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]phenoxy]acetamide
CID 95486417
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45237227
2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95548860
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111
5-methyl-3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95722364
2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 25452784
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95707342

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (CID 56914557) is 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(CN2CCCC(CCc3c(F)cccc3F)C2)no1.
What is the InChIKey of 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CWHSMPDLCJVTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-21-17(25)18-22-16(23-26-18)11-24-9-3-4-12(10-24)7-8-13-14(19)5-2-6-15(13)20/h2,5-6,12H,3-4,7-11H2,1H3,(H,21,25).
What are the key properties of 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 56914557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).