1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone

C20H25NO2 — CID 56537953

IUPAC1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
SMILESC=C1CCN(C(=O)Cc2coc3cc(C)c(C(C)C)cc23)CC1
InChIInChI=1S/C20H25NO2/c1-13(2)17-11-18-16(12-23-19(18)9-15(17)4)10-20(22)21-7-5-14(3)6-8-21/h9,11-13H,3,5-8,10H2,1-2,4H3
InChIKeyGPCLFCZLAQPLLY-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.59
Rot. Bonds3

About 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone

1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone (PubChem CID 56537953) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
PubChem CID56537953
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
SMILESC=C1CCN(C(=O)Cc2coc3cc(C)c(C(C)C)cc23)CC1
InChIInChI=1S/C20H25NO2/c1-13(2)17-11-18-16(12-23-19(18)9-15(17)4)10-20(22)21-7-5-14(3)6-8-21/h9,11-13H,3,5-8,10H2,1-2,4H3
InChIKeyGPCLFCZLAQPLLY-UHFFFAOYSA-N
XLogP4.59
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 55566568
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3924611
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 33461193
2-[4-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]morpholin-2-yl]acetic acid
CID 119248557
1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 60607197
1-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 99783135
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 55339010
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide
CID 52760830
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510652
1-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 128985521
N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32905444
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone (CID 56537953) is 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone is C=C1CCN(C(=O)Cc2coc3cc(C)c(C(C)C)cc23)CC1.
What is the InChIKey of 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone?
The InChIKey is GPCLFCZLAQPLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13(2)17-11-18-16(12-23-19(18)9-15(17)4)10-20(22)21-7-5-14(3)6-8-21/h9,11-13H,3,5-8,10H2,1-2,4H3.
What are the key properties of 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone?
1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone has a molecular weight of 311.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 56537953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).