N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide

C24H33F3N2O2 — CID 57387700

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C24H33F3N2O2/c25-24(26,27)16-23(30)28-19-6-4-17(5-7-19)8-12-29-13-9-18(10-14-29)20-2-1-3-22-21(20)11-15-31-22/h1-3,17-19H,4-16H2,(H,28,30)
InChIKeyXLYRRJFZVKDMFE-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.82
Rot. Bonds6

About N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide (PubChem CID 57387700) has the molecular formula C24H33F3N2O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
PubChem CID57387700
Molecular FormulaC24H33F3N2O2
Molecular Weight438.53 g/mol
Exact Mass438.25
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C24H33F3N2O2/c25-24(26,27)16-23(30)28-19-6-4-17(5-7-19)8-12-29-13-9-18(10-14-29)20-2-1-3-22-21(20)11-15-31-22/h1-3,17-19H,4-16H2,(H,28,30)
InChIKeyXLYRRJFZVKDMFE-UHFFFAOYSA-N
XLogP4.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide (CID 57387700) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide?
The InChIKey is XLYRRJFZVKDMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N2O2/c25-24(26,27)16-23(30)28-19-6-4-17(5-7-19)8-12-29-13-9-18(10-14-29)20-2-1-3-22-21(20)11-15-31-22/h1-3,17-19H,4-16H2,(H,28,30).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide has a molecular weight of 438.53 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 57387700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).