(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone

C15H17NO2 — CID 110703112

IUPAC(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
SMILESCc1oc2ccccc2c1C(=O)N1CCCCC1
InChIInChI=1S/C15H17NO2/c1-11-14(12-7-3-4-8-13(12)18-11)15(17)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyYOALULSQEWRUFA-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.37
Rot. Bonds1

About (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone

(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone (PubChem CID 110703112) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
PubChem CID110703112
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
SMILESCc1oc2ccccc2c1C(=O)N1CCCCC1
InChIInChI=1S/C15H17NO2/c1-11-14(12-7-3-4-8-13(12)18-11)15(17)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyYOALULSQEWRUFA-UHFFFAOYSA-N
XLogP3.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-hydroxy-2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
CID 800802
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126800553
piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone
CID 779278
5-(azepane-1-carbonyl)-4,6-dimethylpyran-2-one
CID 918943
1-(2-methyl-1-benzofuran-3-yl)butan-1-one
CID 139824146
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 589845
(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 17482867
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
(1S,6R)-3-methyl-9-(2-methyl-1-benzofuran-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 138055514

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone (CID 110703112) is (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone is Cc1oc2ccccc2c1C(=O)N1CCCCC1.
What is the InChIKey of (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone?
The InChIKey is YOALULSQEWRUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-14(12-7-3-4-8-13(12)18-11)15(17)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone?
(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone has a molecular weight of 243.31 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110703112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).