2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide

C25H34N2O5 — CID 42580970

IUPAC2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NC3CCCCCCC3)cc1O2
InChIInChI=1S/C25H34N2O5/c1-18(28)27-13-11-25(12-14-27)16-22(29)21-10-9-20(15-23(21)32-25)31-17-24(30)26-19-7-5-3-2-4-6-8-19/h9-10,15,19H,2-8,11-14,16-17H2,1H3,(H,26,30)
InChIKeyGSAFJAWDZOYHIU-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.64
Rot. Bonds4

About 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide

2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide (PubChem CID 42580970) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide
PubChem CID42580970
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NC3CCCCCCC3)cc1O2
InChIInChI=1S/C25H34N2O5/c1-18(28)27-13-11-25(12-14-27)16-22(29)21-10-9-20(15-23(21)32-25)31-17-24(30)26-19-7-5-3-2-4-6-8-19/h9-10,15,19H,2-8,11-14,16-17H2,1H3,(H,26,30)
InChIKeyGSAFJAWDZOYHIU-UHFFFAOYSA-N
XLogP3.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetamide
CID 42507265
(2S,3R)-2-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
CID 45490663
4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide
CID 39308162
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 22427222
N-cyclopentyl-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104982186
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108781833
7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735755
N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
CID 22427225

Frequently Asked Questions

What is the IUPAC name of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide?
The IUPAC name of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide (CID 42580970) is 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide.
What is the SMILES notation for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide?
The canonical SMILES for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide is CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NC3CCCCCCC3)cc1O2.
What is the InChIKey of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide?
The InChIKey is GSAFJAWDZOYHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-18(28)27-13-11-25(12-14-27)16-22(29)21-10-9-20(15-23(21)32-25)31-17-24(30)26-19-7-5-3-2-4-6-8-19/h9-10,15,19H,2-8,11-14,16-17H2,1H3,(H,26,30).
What are the key properties of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide?
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide has a molecular weight of 442.56 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxy-N-cyclooctylacetamide is sourced from PubChem (CID 42580970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).