1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide

C26H30N2O3 — CID 60607197

IUPAC1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cc2occ(CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2cc1C(C)C
InChIInChI=1S/C26H30N2O3/c1-17(2)22-15-23-20(16-31-24(23)13-18(22)3)14-25(29)28-11-9-19(10-12-28)26(30)27-21-7-5-4-6-8-21/h4-8,13,15-17,19H,9-12,14H2,1-3H3,(H,27,30)
InChIKeyKUFKHXQOABOJEI-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.28
Rot. Bonds5

About 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 60607197) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID60607197
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cc2occ(CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2cc1C(C)C
InChIInChI=1S/C26H30N2O3/c1-17(2)22-15-23-20(16-31-24(23)13-18(22)3)14-25(29)28-11-9-19(10-12-28)26(30)27-21-7-5-4-6-8-21/h4-8,13,15-17,19H,9-12,14H2,1-3H3,(H,27,30)
InChIKeyKUFKHXQOABOJEI-UHFFFAOYSA-N
XLogP5.28
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide with MolForge

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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
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-[4-[[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 38128775
1-(4-methylidenepiperidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 56537953
N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide
CID 55813157
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 33461193
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006911
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
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
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide (CID 60607197) is 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide is Cc1cc2occ(CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2cc1C(C)C.
What is the InChIKey of 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is KUFKHXQOABOJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-17(2)22-15-23-20(16-31-24(23)13-18(22)3)14-25(29)28-11-9-19(10-12-28)26(30)27-21-7-5-4-6-8-21/h4-8,13,15-17,19H,9-12,14H2,1-3H3,(H,27,30).
What are the key properties of 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 60607197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).