N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide

C24H34N2O5 — CID 3058966

IUPACN-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide
SMILESCOc1c(NC(=O)C2CCCCC2)c(OCCN2CCCCC2)c(OC)c2occc12
InChIInChI=1S/C24H34N2O5/c1-28-20-18-11-15-30-21(18)23(29-2)22(31-16-14-26-12-7-4-8-13-26)19(20)25-24(27)17-9-5-3-6-10-17/h11,15,17H,3-10,12-14,16H2,1-2H3,(H,25,27)
InChIKeyUCIRZDBOOMZTOC-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.83
Rot. Bonds8

About N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide

N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide (PubChem CID 3058966) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide
PubChem CID3058966
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC NameN-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide
SMILESCOc1c(NC(=O)C2CCCCC2)c(OCCN2CCCCC2)c(OC)c2occc12
InChIInChI=1S/C24H34N2O5/c1-28-20-18-11-15-30-21(18)23(29-2)22(31-16-14-26-12-7-4-8-13-26)19(20)25-24(27)17-9-5-3-6-10-17/h11,15,17H,3-10,12-14,16H2,1-2H3,(H,25,27)
InChIKeyUCIRZDBOOMZTOC-UHFFFAOYSA-N
XLogP4.83
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide (CID 3058966) is N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide is COc1c(NC(=O)C2CCCCC2)c(OCCN2CCCCC2)c(OC)c2occc12.
What is the InChIKey of N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide?
The InChIKey is UCIRZDBOOMZTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-28-20-18-11-15-30-21(18)23(29-2)22(31-16-14-26-12-7-4-8-13-26)19(20)25-24(27)17-9-5-3-6-10-17/h11,15,17H,3-10,12-14,16H2,1-2H3,(H,25,27).
What are the key properties of N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide?
N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3058966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).