2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide

C24H31F3N2O2 — CID 66628022

IUPAC2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide
SMILESO=C(c1ccc(F)cc1)C1CCN(CCC2CCC(NC(=O)C3CC3(F)F)CC2)CC1
InChIInChI=1S/C24H31F3N2O2/c25-19-5-3-17(4-6-19)22(30)18-10-13-29(14-11-18)12-9-16-1-7-20(8-2-16)28-23(31)21-15-24(21,26)27/h3-6,16,18,20-21H,1-2,7-15H2,(H,28,31)
InChIKeyZGKXVGSTQYQFFS-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.44
Rot. Bonds7

About 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide

2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide (PubChem CID 66628022) has the molecular formula C24H31F3N2O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide
PubChem CID66628022
Molecular FormulaC24H31F3N2O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC Name2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide
SMILESO=C(c1ccc(F)cc1)C1CCN(CCC2CCC(NC(=O)C3CC3(F)F)CC2)CC1
InChIInChI=1S/C24H31F3N2O2/c25-19-5-3-17(4-6-19)22(30)18-10-13-29(14-11-18)12-9-16-1-7-20(8-2-16)28-23(31)21-15-24(21,26)27/h3-6,16,18,20-21H,1-2,7-15H2,(H,28,31)
InChIKeyZGKXVGSTQYQFFS-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
CID 25015921
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyrrol-1-ylbenzamide
CID 66627561
2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 143759148
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide
CID 149104494
2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 25184916
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide
CID 57385672
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 66627693
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide
CID 25018369
[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate
CID 123821229

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide (CID 66628022) is 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide is O=C(c1ccc(F)cc1)C1CCN(CCC2CCC(NC(=O)C3CC3(F)F)CC2)CC1.
What is the InChIKey of 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is ZGKXVGSTQYQFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O2/c25-19-5-3-17(4-6-19)22(30)18-10-13-29(14-11-18)12-9-16-1-7-20(8-2-16)28-23(31)21-15-24(21,26)27/h3-6,16,18,20-21H,1-2,7-15H2,(H,28,31).
What are the key properties of 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 66628022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).