N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide

C21H20N2O4 — CID 90618254

IUPACN-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC2(CC1)OC(=O)c1ccccc12)c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-18(14-22-19(25)15-6-2-1-3-7-15)23-12-10-21(11-13-23)17-9-5-4-8-16(17)20(26)27-21/h1-9H,10-14H2,(H,22,25)
InChIKeyWXWAPMIQIPNRFK-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.10
Rot. Bonds3

About N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide

N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide (PubChem CID 90618254) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
PubChem CID90618254
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC2(CC1)OC(=O)c1ccccc12)c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-18(14-22-19(25)15-6-2-1-3-7-15)23-12-10-21(11-13-23)17-9-5-4-8-16(17)20(26)27-21/h1-9H,10-14H2,(H,22,25)
InChIKeyWXWAPMIQIPNRFK-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 73168193
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226
N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide
CID 108758056
1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618218
1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618264
1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618202
2,6-difluoro-N-[3-oxo-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)propyl]benzenesulfonamide
CID 90618159
4-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)benzonitrile
CID 90618069

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide (CID 90618254) is N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide is O=C(NCC(=O)N1CCC2(CC1)OC(=O)c1ccccc12)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide?
The InChIKey is WXWAPMIQIPNRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-18(14-22-19(25)15-6-2-1-3-7-15)23-12-10-21(11-13-23)17-9-5-4-8-16(17)20(26)27-21/h1-9H,10-14H2,(H,22,25).
What are the key properties of N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide?
N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide has a molecular weight of 364.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide is sourced from PubChem (CID 90618254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).