N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide

C23H24N2O3 — CID 90350183

IUPACN-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C23H24N2O3/c1-17(26)24-20-9-6-18(7-10-20)8-11-22(27)25-14-12-23(13-15-25)21-5-3-2-4-19(21)16-28-23/h2-11H,12-16H2,1H3,(H,24,26)/b11-8+
InChIKeyRAAQKCIAJAFRHI-DHZHZOJOSA-N
MW376.46 g/mol
LogP3.71
Rot. Bonds3

About N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide

N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide (PubChem CID 90350183) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide
PubChem CID90350183
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C23H24N2O3/c1-17(26)24-20-9-6-18(7-10-20)8-11-22(27)25-14-12-23(13-15-25)21-5-3-2-4-19(21)16-28-23/h2-11H,12-16H2,1H3,(H,24,26)/b11-8+
InChIKeyRAAQKCIAJAFRHI-DHZHZOJOSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one
CID 90350161
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
3-(1,3-benzothiazol-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one
CID 123472255
(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one
CID 166307470
N-[4-[(E)-3-(4-methyl-1,4-diazepan-1-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 78839205
N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide
CID 90350182
N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
CID 10131986
4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509036
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
N-[4-[(E)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 31265904
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide (CID 90350183) is N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/C(=O)N2CCC3(CC2)OCc2ccccc23)cc1.
What is the InChIKey of N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide?
The InChIKey is RAAQKCIAJAFRHI-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-17(26)24-20-9-6-18(7-10-20)8-11-22(27)25-14-12-23(13-15-25)21-5-3-2-4-19(21)16-28-23/h2-11H,12-16H2,1H3,(H,24,26)/b11-8+.
What are the key properties of N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide?
N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 90350183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).