N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide

C23H27F7N2O2 — CID 78097319

IUPACN-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
SMILESO=C(NC1CC1)c1c(F)cc(OCCC2CC2C2CCN(CC(F)(F)C(F)(F)F)CC2)cc1F
InChIInChI=1S/C23H27F7N2O2/c24-18-10-16(11-19(25)20(18)21(33)31-15-1-2-15)34-8-5-14-9-17(14)13-3-6-32(7-4-13)12-22(26,27)23(28,29)30/h10-11,13-15,17H,1-9,12H2,(H,31,33)
InChIKeyFMEUPIKEJSDTOC-UHFFFAOYSA-N
MW496.47 g/mol
LogP5.17
Rot. Bonds9

About N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide

N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide (PubChem CID 78097319) has the molecular formula C23H27F7N2O2 and a molecular weight of 496.47 g/mol. Its IUPAC name is N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
PubChem CID78097319
Molecular FormulaC23H27F7N2O2
Molecular Weight496.47 g/mol
Exact Mass496.20
IUPAC NameN-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
SMILESO=C(NC1CC1)c1c(F)cc(OCCC2CC2C2CCN(CC(F)(F)C(F)(F)F)CC2)cc1F
InChIInChI=1S/C23H27F7N2O2/c24-18-10-16(11-19(25)20(18)21(33)31-15-1-2-15)34-8-5-14-9-17(14)13-3-6-32(7-4-13)12-22(26,27)23(28,29)30/h10-11,13-15,17H,1-9,12H2,(H,31,33)
InChIKeyFMEUPIKEJSDTOC-UHFFFAOYSA-N
XLogP5.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
CID 71523060
N-cyclopropyl-2,6-difluoro-4-[2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethoxy]benzamide
CID 129309849
N-cyclopropyl-2,6-difluoro-4-[2-[(1S,2R)-2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
CID 70855997
2-fluoro-N-(1,2-oxazol-4-ylmethyl)-4-[2-[(2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide
CID 162545023
2-isocyano-6-methyl-4-[2-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine
CID 123149710
N-tert-butyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;4-[(1R,2S)-2-[2-(3,5-difluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]-1-ethylpiperidine;2-[4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole;1-[2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]pent-4-en-1-one;methane
CID 157230332
2-[4-[2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorophenyl]acetic acid
CID 123604087
1-(azetidin-1-yl)-2-[2,6-difluoro-4-[2-[2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
CID 123401204
2-[2,6-difluoro-4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]phenyl]-1-(3-fluoroazetidin-1-yl)ethanone
CID 123271309
N-cyclopentyl-2-[2-fluoro-4-[2-[(2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetamide
CID 70856030
2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide
CID 65100669
tert-butyl 4-[(1R,2S)-2-[2-[3-fluoro-4-(2-methoxy-2-oxoethyl)phenoxy]ethyl]cyclopropyl]piperidine-1-carboxylate;2-chloro-5-(methoxymethyl)pyrimidine;methyl 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-[5-(methoxymethyl)pyrimidin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetate
CID 165048098

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?
The IUPAC name of N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide (CID 78097319) is N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?
The canonical SMILES for N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide is O=C(NC1CC1)c1c(F)cc(OCCC2CC2C2CCN(CC(F)(F)C(F)(F)F)CC2)cc1F.
What is the InChIKey of N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?
The InChIKey is FMEUPIKEJSDTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F7N2O2/c24-18-10-16(11-19(25)20(18)21(33)31-15-1-2-15)34-8-5-14-9-17(14)13-3-6-32(7-4-13)12-22(26,27)23(28,29)30/h10-11,13-15,17H,1-9,12H2,(H,31,33).
What are the key properties of N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide?
N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide has a molecular weight of 496.47 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6-difluoro-4-[2-[2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]benzamide is sourced from PubChem (CID 78097319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).