5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide

C17H22N2O2 — CID 120601646

IUPAC5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc2cc(C(=O)NC3CCNC(C)C3)oc2cc1C
InChIInChI=1S/C17H22N2O2/c1-10-6-13-9-16(21-15(13)7-11(10)2)17(20)19-14-4-5-18-12(3)8-14/h6-7,9,12,14,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyHIACNNMPHSGTOR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.92
Rot. Bonds2

About 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide

5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 120601646) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
PubChem CID120601646
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc2cc(C(=O)NC3CCNC(C)C3)oc2cc1C
InChIInChI=1S/C17H22N2O2/c1-10-6-13-9-16(21-15(13)7-11(10)2)17(20)19-14-4-5-18-12(3)8-14/h6-7,9,12,14,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyHIACNNMPHSGTOR-UHFFFAOYSA-N
XLogP2.92
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide (CID 120601646) is 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide is Cc1cc2cc(C(=O)NC3CCNC(C)C3)oc2cc1C.
What is the InChIKey of 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is HIACNNMPHSGTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-6-13-9-16(21-15(13)7-11(10)2)17(20)19-14-4-5-18-12(3)8-14/h6-7,9,12,14,18H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 120601646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).