N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide

C23H24N2O3 — CID 90350182

IUPACN-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1)C1CC1
InChIInChI=1S/C23H24N2O3/c26-21(16-5-6-16)24-19-9-7-17(8-10-19)22(27)25-13-11-23(12-14-25)20-4-2-1-3-18(20)15-28-23/h1-4,7-10,16H,5-6,11-15H2,(H,24,26)
InChIKeyIEEFESHIZWUZAG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.70
Rot. Bonds3

About N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide

N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide (PubChem CID 90350182) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide
PubChem CID90350182
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1)C1CC1
InChIInChI=1S/C23H24N2O3/c26-21(16-5-6-16)24-19-9-7-17(8-10-19)22(27)25-13-11-23(12-14-25)20-4-2-1-3-18(20)15-28-23/h1-4,7-10,16H,5-6,11-15H2,(H,24,26)
InChIKeyIEEFESHIZWUZAG-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 78322536
6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136538
(4-fluoro-3-methylphenyl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 154839329
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
(4-amino-3-nitrophenyl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 90349955
N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide
CID 126795764
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
N-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
CID 10293050
spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-carboxylic acid
CID 59320740
N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 46415747
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074

Frequently Asked Questions

What is the IUPAC name of N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide (CID 90350182) is N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1)C1CC1.
What is the InChIKey of N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide?
The InChIKey is IEEFESHIZWUZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21(16-5-6-16)24-19-9-7-17(8-10-19)22(27)25-13-11-23(12-14-25)20-4-2-1-3-18(20)15-28-23/h1-4,7-10,16H,5-6,11-15H2,(H,24,26).
What are the key properties of N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide?
N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 90350182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).