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

C29H36ClNO2 — CID 161418323

IUPAC1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone
SMILESO=C(CC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C29H36ClNO2/c30-25-10-8-24(9-11-25)28(32)20-22-6-4-21(5-7-22)12-16-31-17-13-23(14-18-31)26-2-1-3-29-27(26)15-19-33-29/h1-3,8-11,21-23H,4-7,12-20H2
InChIKeyVWJVXKNIOLYFCK-UHFFFAOYSA-N
MW466.07 g/mol
LogP6.92
Rot. Bonds7

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

1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone (PubChem CID 161418323) has the molecular formula C29H36ClNO2 and a molecular weight of 466.07 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone
PubChem CID161418323
Molecular FormulaC29H36ClNO2
Molecular Weight466.07 g/mol
Exact Mass465.24
IUPAC Name1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone
SMILESO=C(CC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C29H36ClNO2/c30-25-10-8-24(9-11-25)28(32)20-22-6-4-21(5-7-22)12-16-31-17-13-23(14-18-31)26-2-1-3-29-27(26)15-19-33-29/h1-3,8-11,21-23H,4-7,12-20H2
InChIKeyVWJVXKNIOLYFCK-UHFFFAOYSA-N
XLogP6.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.07
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone (CID 161418323) is 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone is O=C(CC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone?
The InChIKey is VWJVXKNIOLYFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClNO2/c30-25-10-8-24(9-11-25)28(32)20-22-6-4-21(5-7-22)12-16-31-17-13-23(14-18-31)26-2-1-3-29-27(26)15-19-33-29/h1-3,8-11,21-23H,4-7,12-20H2.
What are the key properties of 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone?
1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone has a molecular weight of 466.07 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]ethanone is sourced from PubChem (CID 161418323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).