1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide

C22H22N2O3 — CID 55930145

IUPAC1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc2oc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2c1
InChIInChI=1S/C22H22N2O3/c1-15-7-8-19-17(13-15)14-20(27-19)22(26)24-11-9-16(10-12-24)21(25)23-18-5-3-2-4-6-18/h2-8,13-14,16H,9-12H2,1H3,(H,23,25)
InChIKeyQXTZKDUJCDDWCZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.23
Rot. Bonds3

About 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide

1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 55930145) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
PubChem CID55930145
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc2oc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2c1
InChIInChI=1S/C22H22N2O3/c1-15-7-8-19-17(13-15)14-20(27-19)22(26)24-11-9-16(10-12-24)21(25)23-18-5-3-2-4-6-18/h2-8,13-14,16H,9-12H2,1H3,(H,23,25)
InChIKeyQXTZKDUJCDDWCZ-UHFFFAOYSA-N
XLogP4.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-(6-methylpyridine-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 32565194
1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 33089265
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997472
1-(3-methylthiophene-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 17395338
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929335
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236286
1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 41499726
1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 18137390

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide (CID 55930145) is 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide is Cc1ccc2oc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is QXTZKDUJCDDWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-7-8-19-17(13-15)14-20(27-19)22(26)24-11-9-16(10-12-24)21(25)23-18-5-3-2-4-6-18/h2-8,13-14,16H,9-12H2,1H3,(H,23,25).
What are the key properties of 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide?
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55930145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).