4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide

C24H25N3O6 — CID 39308162

IUPAC4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc1O2
InChIInChI=1S/C24H25N3O6/c1-15(28)27-10-8-24(9-11-27)13-20(29)19-7-6-18(12-21(19)33-24)32-14-22(30)26-17-4-2-16(3-5-17)23(25)31/h2-7,12H,8-11,13-14H2,1H3,(H2,25,31)(H,26,30)
InChIKeyLHKRDVVRFPVGFO-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.15
Rot. Bonds5

About 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide

4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide (PubChem CID 39308162) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide
PubChem CID39308162
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc1O2
InChIInChI=1S/C24H25N3O6/c1-15(28)27-10-8-24(9-11-27)13-20(29)19-7-6-18(12-21(19)33-24)32-14-22(30)26-17-4-2-16(3-5-17)23(25)31/h2-7,12H,8-11,13-14H2,1H3,(H2,25,31)(H,26,30)
InChIKeyLHKRDVVRFPVGFO-UHFFFAOYSA-N
XLogP2.15
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide
CID 42507265
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide
CID 42580970
(2S,3R)-2-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
CID 45490663
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 22427222
7-methoxy-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108782006
4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide
CID 167895843
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46960370
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758942

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide?
The IUPAC name of 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide (CID 39308162) is 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide is CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc1O2.
What is the InChIKey of 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide?
The InChIKey is LHKRDVVRFPVGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-15(28)27-10-8-24(9-11-27)13-20(29)19-7-6-18(12-21(19)33-24)32-14-22(30)26-17-4-2-16(3-5-17)23(25)31/h2-7,12H,8-11,13-14H2,1H3,(H2,25,31)(H,26,30).
What are the key properties of 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide?
4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide has a molecular weight of 451.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 39308162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).