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

C26H40N2O2 — CID 57386201

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide
SMILESCCCCC(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C26H40N2O2/c1-2-3-7-26(29)27-22-10-8-20(9-11-22)12-16-28-17-13-21(14-18-28)23-5-4-6-25-24(23)15-19-30-25/h4-6,20-22H,2-3,7-19H2,1H3,(H,27,29)
InChIKeyMKKJVJCUFYKFLO-UHFFFAOYSA-N
MW412.62 g/mol
LogP5.06
Rot. Bonds8

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide (PubChem CID 57386201) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide
PubChem CID57386201
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide
SMILESCCCCC(=O)NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1
InChIInChI=1S/C26H40N2O2/c1-2-3-7-26(29)27-22-10-8-20(9-11-22)12-16-28-17-13-21(14-18-28)23-5-4-6-25-24(23)15-19-30-25/h4-6,20-22H,2-3,7-19H2,1H3,(H,27,29)
InChIKeyMKKJVJCUFYKFLO-UHFFFAOYSA-N
XLogP5.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 55.06
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]pentanamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide (CID 57386201) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is MKKJVJCUFYKFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-2-3-7-26(29)27-22-10-8-20(9-11-22)12-16-28-17-13-21(14-18-28)23-5-4-6-25-24(23)15-19-30-25/h4-6,20-22H,2-3,7-19H2,1H3,(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]pentanamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]pentanamide has a molecular weight of 412.62 g/mol, XLogP of 5.06, 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]pentanamide is sourced from PubChem (CID 57386201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).