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

C15H17NO2 — CID 768762

IUPAC(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)oc2ccccc12
InChIInChI=1S/C15H17NO2/c1-11-12-7-3-4-8-13(12)18-14(11)15(17)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyKCWGVCAXVYBMIX-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.37
Rot. Bonds1

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

(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (PubChem CID 768762) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
PubChem CID768762
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)oc2ccccc12
InChIInChI=1S/C15H17NO2/c1-11-12-7-3-4-8-13(12)18-14(11)15(17)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyKCWGVCAXVYBMIX-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

1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 17482867
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone
CID 779278
(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
CID 110703112
[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067179
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 27757613
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292207
(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23739584
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (CID 768762) is (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is Cc1c(C(=O)N2CCCCC2)oc2ccccc12.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The InChIKey is KCWGVCAXVYBMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-12-7-3-4-8-13(12)18-14(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 (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
(3-methyl-1-benzofuran-2-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 (3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 768762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).