N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide

C21H20N2O4 — CID 90618591

IUPACN-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1
InChIInChI=1S/C21H20N2O4/c1-14(24)22-16-9-7-15(8-10-16)19(25)23-12-4-11-21(13-23)18-6-3-2-5-17(18)20(26)27-21/h2-3,5-10H,4,11-13H2,1H3,(H,22,24)
InChIKeyIINWGYXRHLNYJX-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.95
Rot. Bonds2

About N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide

N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide (PubChem CID 90618591) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
PubChem CID90618591
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1
InChIInChI=1S/C21H20N2O4/c1-14(24)22-16-9-7-15(8-10-16)19(25)23-12-4-11-21(13-23)18-6-3-2-5-17(18)20(26)27-21/h2-3,5-10H,4,11-13H2,1H3,(H,22,24)
InChIKeyIINWGYXRHLNYJX-UHFFFAOYSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618442
1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618707
1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618618
1'-(3-methylbut-2-enoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142469
N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide
CID 90618714
(3S)-1'-(2-methyl-1,3-benzothiazole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99883017
1'-(1-methyl-6-oxopyridazine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 72719224
tert-butyl (1S)-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxylate
CID 99872278
1-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 121142455
1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618507

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide (CID 90618591) is N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCCC3(C2)OC(=O)c2ccccc23)cc1.
What is the InChIKey of N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide?
The InChIKey is IINWGYXRHLNYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(24)22-16-9-7-15(8-10-16)19(25)23-12-4-11-21(13-23)18-6-3-2-5-17(18)20(26)27-21/h2-3,5-10H,4,11-13H2,1H3,(H,22,24).
What are the key properties of N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide?
N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide has a molecular weight of 364.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide is sourced from PubChem (CID 90618591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).