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

C24H32F2N2O2 — CID 42462495

IUPACN-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C24H32F2N2O2/c1-24(2,3)16-28-11-9-17(10-12-28)21(14-18-7-8-19(25)15-20(18)26)27(4)23(29)22-6-5-13-30-22/h5-8,13,15,17,21H,9-12,14,16H2,1-4H3/t21-/m1/s1
InChIKeyIOGALYFZDPLIHS-OAQYLSRUSA-N
MW418.53 g/mol
LogP5.00
Rot. Bonds6

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

N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide (PubChem CID 42462495) has the molecular formula C24H32F2N2O2 and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
PubChem CID42462495
Molecular FormulaC24H32F2N2O2
Molecular Weight418.53 g/mol
Exact Mass418.24
IUPAC NameN-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C24H32F2N2O2/c1-24(2,3)16-28-11-9-17(10-12-28)21(14-18-7-8-19(25)15-20(18)26)27(4)23(29)22-6-5-13-30-22/h5-8,13,15,17,21H,9-12,14,16H2,1-4H3/t21-/m1/s1
InChIKeyIOGALYFZDPLIHS-OAQYLSRUSA-N
XLogP5.00
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42345770
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42346920
N-[(1S)-2-(2-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42541793
N-[(1S)-2-(2,4-difluorophenyl)-1-(1-propanoylpiperidin-4-yl)ethyl]-N-methylcyclopropanecarboxamide
CID 42539918
N-[(1R)-1-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-(2-chlorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 42499650
N-[(1R)-1-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-2-(2-chlorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 42423387
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]ethyl]-N-methylpropanamide
CID 42321493
N-[(1S)-1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42273995
N-[2-(2,4-difluorophenyl)-1-[1-(oxolane-3-carbonyl)piperidin-4-yl]ethyl]-N-methylpropanamide
CID 126467054
N-[(1S)-2-(2-fluorophenyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42539908
N-[(1S)-2-(2-chlorophenyl)-1-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 26334476
N-[(1S)-2-(2,4-difluorophenyl)-1-[1-[(1S)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 26360938

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide (CID 42462495) is N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CCN(CC(C)(C)C)CC1.
What is the InChIKey of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
The InChIKey is IOGALYFZDPLIHS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32F2N2O2/c1-24(2,3)16-28-11-9-17(10-12-28)21(14-18-7-8-19(25)15-20(18)26)27(4)23(29)22-6-5-13-30-22/h5-8,13,15,17,21H,9-12,14,16H2,1-4H3/t21-/m1/s1.
What are the key properties of N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide?
N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2,4-difluorophenyl)-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 42462495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).