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

C26H38N2O3 — CID 57385172

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CCCO1
InChIInChI=1S/C26H38N2O3/c29-26(25-5-2-17-30-25)27-21-8-6-19(7-9-21)10-14-28-15-11-20(12-16-28)22-3-1-4-24-23(22)13-18-31-24/h1,3-4,19-21,25H,2,5-18H2,(H,27,29)
InChIKeyGHYRDLJRGXMERZ-UHFFFAOYSA-N
MW426.60 g/mol
LogP4.05
Rot. Bonds6

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide (PubChem CID 57385172) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide
PubChem CID57385172
Molecular FormulaC26H38N2O3
Molecular Weight426.60 g/mol
Exact Mass426.29
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CCCO1
InChIInChI=1S/C26H38N2O3/c29-26(25-5-2-17-30-25)27-21-8-6-19(7-9-21)10-14-28-15-11-20(12-16-28)22-3-1-4-24-23(22)13-18-31-24/h1,3-4,19-21,25H,2,5-18H2,(H,27,29)
InChIKeyGHYRDLJRGXMERZ-UHFFFAOYSA-N
XLogP4.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]oxolane-2-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide (CID 57385172) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide is O=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CCCO1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide?
The InChIKey is GHYRDLJRGXMERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3/c29-26(25-5-2-17-30-25)27-21-8-6-19(7-9-21)10-14-28-15-11-20(12-16-28)22-3-1-4-24-23(22)13-18-31-24/h1,3-4,19-21,25H,2,5-18H2,(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]oxolane-2-carboxamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-2-carboxamide has a molecular weight of 426.60 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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]oxolane-2-carboxamide is sourced from PubChem (CID 57385172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).