N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide

C17H24N2O3 — CID 67794762

IUPACN-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCN1CCC(NC(=O)c2cccc3c2OCC3)C(OC)C1
InChIInChI=1S/C17H24N2O3/c1-3-19-9-7-14(15(11-19)21-2)18-17(20)13-6-4-5-12-8-10-22-16(12)13/h4-6,14-15H,3,7-11H2,1-2H3,(H,18,20)
InChIKeyKKAKCDKZZLOVOD-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.46
Rot. Bonds4

About N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide

N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 67794762) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID67794762
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCN1CCC(NC(=O)c2cccc3c2OCC3)C(OC)C1
InChIInChI=1S/C17H24N2O3/c1-3-19-9-7-14(15(11-19)21-2)18-17(20)13-6-4-5-12-8-10-22-16(12)13/h4-6,14-15H,3,7-11H2,1-2H3,(H,18,20)
InChIKeyKKAKCDKZZLOVOD-UHFFFAOYSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide (CID 67794762) is N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide is CCN1CCC(NC(=O)c2cccc3c2OCC3)C(OC)C1.
What is the InChIKey of N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is KKAKCDKZZLOVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-19-9-7-14(15(11-19)21-2)18-17(20)13-6-4-5-12-8-10-22-16(12)13/h4-6,14-15H,3,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide?
N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 67794762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).