(5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone

C17H22N2O2 — CID 120570438

IUPAC(5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCNC(C)C3C)oc2cc1C
InChIInChI=1S/C17H22N2O2/c1-10-7-14-9-16(21-15(14)8-11(10)2)17(20)19-6-5-18-12(3)13(19)4/h7-9,12-13,18H,5-6H2,1-4H3
InChIKeyXQUNZNZWUZLYIH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.87
Rot. Bonds1

About (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone

(5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120570438) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120570438
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCNC(C)C3C)oc2cc1C
InChIInChI=1S/C17H22N2O2/c1-10-7-14-9-16(21-15(14)8-11(10)2)17(20)19-6-5-18-12(3)13(19)4/h7-9,12-13,18H,5-6H2,1-4H3
InChIKeyXQUNZNZWUZLYIH-UHFFFAOYSA-N
XLogP2.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,6-dimethyl-1-benzofuran-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119470320
(5,6-dimethyl-1-benzofuran-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470319
(3,5-dimethylfuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570950
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
(5,6-dimethyl-1-benzofuran-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 71994586
(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572283
(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride
CID 120572033
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
[2-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119631264
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119373219
5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 120601646

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone (CID 120570438) is (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone is Cc1cc2cc(C(=O)N3CCNC(C)C3C)oc2cc1C.
What is the InChIKey of (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is XQUNZNZWUZLYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-7-14-9-16(21-15(14)8-11(10)2)17(20)19-6-5-18-12(3)13(19)4/h7-9,12-13,18H,5-6H2,1-4H3.
What are the key properties of (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
(5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120570438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).