(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone

C17H21NO2 — CID 84575451

IUPAC(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CC(C)CC(C)C3)oc2c1
InChIInChI=1S/C17H21NO2/c1-11-4-5-14-8-16(20-15(14)7-11)17(19)18-9-12(2)6-13(3)10-18/h4-5,7-8,12-13H,6,9-10H2,1-3H3
InChIKeyVYTZEYVTMJOMAD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.86
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone (PubChem CID 84575451) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
PubChem CID84575451
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CC(C)CC(C)C3)oc2c1
InChIInChI=1S/C17H21NO2/c1-11-4-5-14-8-16(20-15(14)7-11)17(19)18-9-12(2)6-13(3)10-18/h4-5,7-8,12-13H,6,9-10H2,1-3H3
InChIKeyVYTZEYVTMJOMAD-UHFFFAOYSA-N
XLogP3.86
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone
CID 3235923
(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 84576723
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
(7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 3618283
[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone
CID 112531904
(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 46427191
[5-(3-amino-4-methylphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679636
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 102938388
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
(4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
CID 112521663

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone (CID 84575451) is (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2cc(C(=O)N3CC(C)CC(C)C3)oc2c1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is VYTZEYVTMJOMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-4-5-14-8-16(20-15(14)7-11)17(19)18-9-12(2)6-13(3)10-18/h4-5,7-8,12-13H,6,9-10H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 84575451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).