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

C29H35F3N2O2 — CID 57385425

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H35F3N2O2/c30-29(31,32)23-8-6-22(7-9-23)28(35)33-24-10-4-20(5-11-24)12-16-34-17-13-21(14-18-34)25-2-1-3-27-26(25)15-19-36-27/h1-3,6-9,20-21,24H,4-5,10-19H2,(H,33,35)
InChIKeyJGUXYQFTEZNNTK-UHFFFAOYSA-N
MW500.61 g/mol
LogP6.20
Rot. Bonds6

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide (PubChem CID 57385425) has the molecular formula C29H35F3N2O2 and a molecular weight of 500.61 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide
PubChem CID57385425
Molecular FormulaC29H35F3N2O2
Molecular Weight500.61 g/mol
Exact Mass500.27
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H35F3N2O2/c30-29(31,32)23-8-6-22(7-9-23)28(35)33-24-10-4-20(5-11-24)12-16-34-17-13-21(14-18-34)25-2-1-3-27-26(25)15-19-36-27/h1-3,6-9,20-21,24H,4-5,10-19H2,(H,33,35)
InChIKeyJGUXYQFTEZNNTK-UHFFFAOYSA-N
XLogP6.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 56.20
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-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide (CID 57385425) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide is O=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JGUXYQFTEZNNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N2O2/c30-29(31,32)23-8-6-22(7-9-23)28(35)33-24-10-4-20(5-11-24)12-16-34-17-13-21(14-18-34)25-2-1-3-27-26(25)15-19-36-27/h1-3,6-9,20-21,24H,4-5,10-19H2,(H,33,35).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide has a molecular weight of 500.61 g/mol, XLogP of 6.20, 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-(trifluoromethyl)benzamide is sourced from PubChem (CID 57385425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).