1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one

C15H15NO3 — CID 55012658

IUPAC1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
SMILESCc1ccc2oc(C(=O)N3CCC(=O)CC3)cc2c1
InChIInChI=1S/C15H15NO3/c1-10-2-3-13-11(8-10)9-14(19-13)15(18)16-6-4-12(17)5-7-16/h2-3,8-9H,4-7H2,1H3
InChIKeyFCMYPVBDHBHCNY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.55
Rot. Bonds1

About 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one

1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one (PubChem CID 55012658) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
PubChem CID55012658
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
SMILESCc1ccc2oc(C(=O)N3CCC(=O)CC3)cc2c1
InChIInChI=1S/C15H15NO3/c1-10-2-3-13-11(8-10)9-14(19-13)15(18)16-6-4-12(17)5-7-16/h2-3,8-9H,4-7H2,1H3
InChIKeyFCMYPVBDHBHCNY-UHFFFAOYSA-N
XLogP2.55
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929335
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 107406227
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929955
azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone
CID 176932569
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119061394
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 81210117
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929837
(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997472
3,3-dimethyl-4-(5-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 63608278
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 102938388

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one (CID 55012658) is 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one is Cc1ccc2oc(C(=O)N3CCC(=O)CC3)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one?
The InChIKey is FCMYPVBDHBHCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-2-3-13-11(8-10)9-14(19-13)15(18)16-6-4-12(17)5-7-16/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one?
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one has a molecular weight of 257.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 55012658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).