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

C27H42N2O2 — CID 57386200

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C27H42N2O2/c1-20(2)6-11-27(30)28-23-9-7-21(8-10-23)12-16-29-17-13-22(14-18-29)24-4-3-5-26-25(24)15-19-31-26/h3-5,20-23H,6-19H2,1-2H3,(H,28,30)
InChIKeyWLPHKXGJSXEPJH-UHFFFAOYSA-N
MW426.65 g/mol
LogP5.30
Rot. Bonds8

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide (PubChem CID 57386200) has the molecular formula C27H42N2O2 and a molecular weight of 426.65 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide
PubChem CID57386200
Molecular FormulaC27H42N2O2
Molecular Weight426.65 g/mol
Exact Mass426.32
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C27H42N2O2/c1-20(2)6-11-27(30)28-23-9-7-21(8-10-23)12-16-29-17-13-22(14-18-29)24-4-3-5-26-25(24)15-19-31-26/h3-5,20-23H,6-19H2,1-2H3,(H,28,30)
InChIKeyWLPHKXGJSXEPJH-UHFFFAOYSA-N
XLogP5.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 55.30
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-methylpentanamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide (CID 57386200) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide is CC(C)CCC(=O)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]-4-methylpentanamide?
The InChIKey is WLPHKXGJSXEPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O2/c1-20(2)6-11-27(30)28-23-9-7-21(8-10-23)12-16-29-17-13-22(14-18-29)24-4-3-5-26-25(24)15-19-31-26/h3-5,20-23H,6-19H2,1-2H3,(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]-4-methylpentanamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide has a molecular weight of 426.65 g/mol, XLogP of 5.30, 8 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-methylpentanamide is sourced from PubChem (CID 57386200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).