N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide

C19H21N3O3 — CID 10131986

IUPACN-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cn1
InChIInChI=1S/C19H21N3O3/c1-24-17-7-6-15(12-20-17)21-18(23)22-10-8-19(9-11-22)16-5-3-2-4-14(16)13-25-19/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyVNSHQRMQQZAJSW-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.14
Rot. Bonds2

About N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide

N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (PubChem CID 10131986) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
PubChem CID10131986
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cn1
InChIInChI=1S/C19H21N3O3/c1-24-17-7-6-15(12-20-17)21-18(23)22-10-8-19(9-11-22)16-5-3-2-4-14(16)13-25-19/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyVNSHQRMQQZAJSW-UHFFFAOYSA-N
XLogP3.14
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Arylpiperazine-1-carboxamide Derivative, 26
CID 11690589
1-[5-(4-Methyl-3-pyridyl)-pyrid-3-ylcarbamoyl]-5-methoxy-6-trifluoromethylindoline
CID 10670191
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [3,3'']bipyridinyl-5-ylamide
CID 10740494
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid [3,4'']bipyridinyl-5-ylamide
CID 10764263
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 164575485
R-Psop
CID 73755058
5-methyl-N-[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 44298118
1-(6-(2-Methoxyphenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611611
3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 46213905
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]phenyl]urea
CID 68531763
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[4-[3-(dimethylamino)-2,2-dimethylpropoxy]phenyl]urea
CID 68531926
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-phenylurea
CID 68533690

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (CID 10131986) is N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is COc1ccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The InChIKey is VNSHQRMQQZAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-17-7-6-15(12-20-17)21-18(23)22-10-8-19(9-11-22)16-5-3-2-4-14(16)13-25-19/h2-7,12H,8-11,13H2,1H3,(H,21,23).
What are the key properties of N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 10131986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).