(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone

C16H19NO2 — CID 888224

IUPAC(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](C)C2)oc2ccccc12
InChIInChI=1S/C16H19NO2/c1-11-6-5-9-17(10-11)16(18)15-12(2)13-7-3-4-8-14(13)19-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyIUYWMKLVSKRXFD-LLVKDONJSA-N
MW257.33 g/mol
LogP3.61
Rot. Bonds1

About (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone

(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 888224) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID888224
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](C)C2)oc2ccccc12
InChIInChI=1S/C16H19NO2/c1-11-6-5-9-17(10-11)16(18)15-12(2)13-7-3-4-8-14(13)19-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyIUYWMKLVSKRXFD-LLVKDONJSA-N
XLogP3.61
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 110228843
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124970480
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 95345476
[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067179
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119487178
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 110259313
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9291499
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067010

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone (CID 888224) is (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone is Cc1c(C(=O)N2CCC[C@@H](C)C2)oc2ccccc12.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is IUYWMKLVSKRXFD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-6-5-9-17(10-11)16(18)15-12(2)13-7-3-4-8-14(13)19-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone?
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 257.33 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 888224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).