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

C23H31F3N2O2 — CID 57384928

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C(F)(F)F
InChIInChI=1S/C23H31F3N2O2/c24-23(25,26)22(29)27-18-6-4-16(5-7-18)8-12-28-13-9-17(10-14-28)19-2-1-3-21-20(19)11-15-30-21/h1-3,16-18H,4-15H2,(H,27,29)
InChIKeyKMJHJQFJPSDYJD-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.43
Rot. Bonds5

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 57384928) has the molecular formula C23H31F3N2O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID57384928
Molecular FormulaC23H31F3N2O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C(F)(F)F
InChIInChI=1S/C23H31F3N2O2/c24-23(25,26)22(29)27-18-6-4-16(5-7-18)8-12-28-13-9-17(10-14-28)19-2-1-3-21-20(19)11-15-30-21/h1-3,16-18H,4-15H2,(H,27,29)
InChIKeyKMJHJQFJPSDYJD-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.43
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]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide (CID 57384928) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide is O=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C(F)(F)F.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is KMJHJQFJPSDYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O2/c24-23(25,26)22(29)27-18-6-4-16(5-7-18)8-12-28-13-9-17(10-14-28)19-2-1-3-21-20(19)11-15-30-21/h1-3,16-18H,4-15H2,(H,27,29).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 424.51 g/mol, XLogP of 4.43, 5 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]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57384928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).