2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide

C25H27ClN2O5 — CID 22427222

IUPAC2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCCc3ccc(Cl)cc3)ccc1O2
InChIInChI=1S/C25H27ClN2O5/c1-17(29)28-12-9-25(10-13-28)15-22(30)21-14-20(6-7-23(21)33-25)32-16-24(31)27-11-8-18-2-4-19(26)5-3-18/h2-7,14H,8-13,15-16H2,1H3,(H,27,31)
InChIKeyQMZRWHDCVQVWQF-UHFFFAOYSA-N
MW470.95 g/mol
LogP3.42
Rot. Bonds6

About 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide

2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 22427222) has the molecular formula C25H27ClN2O5 and a molecular weight of 470.95 g/mol. Its IUPAC name is 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID22427222
Molecular FormulaC25H27ClN2O5
Molecular Weight470.95 g/mol
Exact Mass470.16
IUPAC Name2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCCc3ccc(Cl)cc3)ccc1O2
InChIInChI=1S/C25H27ClN2O5/c1-17(29)28-12-9-25(10-13-28)15-22(30)21-14-20(6-7-23(21)33-25)32-16-24(31)27-11-8-18-2-4-19(26)5-3-18/h2-7,14H,8-13,15-16H2,1H3,(H,27,31)
InChIKeyQMZRWHDCVQVWQF-UHFFFAOYSA-N
XLogP3.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.95
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1'-[2-(4-propylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758375
N-butyl-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
CID 22427225
N-[(4-methoxyphenyl)methyl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl)oxyacetamide
CID 22427224
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
6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735171
(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'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758778
1'-[2-(4-chloro-3-methylphenoxy)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758251
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 6619196

Frequently Asked Questions

What is the IUPAC name of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 22427222) is 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide is CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)NCCc3ccc(Cl)cc3)ccc1O2.
What is the InChIKey of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is QMZRWHDCVQVWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5/c1-17(29)28-12-9-25(10-13-28)15-22(30)21-14-20(6-7-23(21)33-25)32-16-24(31)27-11-8-18-2-4-19(26)5-3-18/h2-7,14H,8-13,15-16H2,1H3,(H,27,31).
What are the key properties of 2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 470.95 g/mol, XLogP of 3.42, 6 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]-6-yl)oxy-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 22427222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).