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

C28H35FN2O2 — CID 57384397

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C28H35FN2O2/c29-23-8-6-22(7-9-23)28(32)30-24-10-4-20(5-11-24)12-16-31-17-13-21(14-18-31)25-2-1-3-27-26(25)15-19-33-27/h1-3,6-9,20-21,24H,4-5,10-19H2,(H,30,32)
InChIKeyPUFRXIARUMGNAR-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.32
Rot. Bonds6

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide (PubChem CID 57384397) has the molecular formula C28H35FN2O2 and a molecular weight of 450.60 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide
PubChem CID57384397
Molecular FormulaC28H35FN2O2
Molecular Weight450.60 g/mol
Exact Mass450.27
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C28H35FN2O2/c29-23-8-6-22(7-9-23)28(32)30-24-10-4-20(5-11-24)12-16-31-17-13-21(14-18-31)25-2-1-3-27-26(25)15-19-33-27/h1-3,6-9,20-21,24H,4-5,10-19H2,(H,30,32)
InChIKeyPUFRXIARUMGNAR-UHFFFAOYSA-N
XLogP5.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.32
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]-4-fluorobenzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide (CID 57384397) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide is O=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide?
The InChIKey is PUFRXIARUMGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O2/c29-23-8-6-22(7-9-23)28(32)30-24-10-4-20(5-11-24)12-16-31-17-13-21(14-18-31)25-2-1-3-27-26(25)15-19-33-27/h1-3,6-9,20-21,24H,4-5,10-19H2,(H,30,32).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-fluorobenzamide has a molecular weight of 450.60 g/mol, XLogP of 5.32, 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]-4-fluorobenzamide is sourced from PubChem (CID 57384397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).