6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C22H22ClNO4 — CID 108735131

IUPAC6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2
InChIInChI=1S/C22H22ClNO4/c1-15-4-2-3-5-19(15)27-14-21(26)24-10-8-22(9-11-24)13-18(25)17-12-16(23)6-7-20(17)28-22/h2-7,12H,8-11,13-14H2,1H3
InChIKeyVZOVCQCDJXDMOV-UHFFFAOYSA-N
MW399.87 g/mol
LogP4.05
Rot. Bonds3

About 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735131) has the molecular formula C22H22ClNO4 and a molecular weight of 399.87 g/mol. Its IUPAC name is 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735131
Molecular FormulaC22H22ClNO4
Molecular Weight399.87 g/mol
Exact Mass399.12
IUPAC Name6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2
InChIInChI=1S/C22H22ClNO4/c1-15-4-2-3-5-19(15)27-14-21(26)24-10-8-22(9-11-24)13-18(25)17-12-16(23)6-7-20(17)28-22/h2-7,12H,8-11,13-14H2,1H3
InChIKeyVZOVCQCDJXDMOV-UHFFFAOYSA-N
XLogP4.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.87
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735171
1'-[2-(2,5-dichlorophenoxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757863
6-chloro-8-methyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750346
6-chloro-1'-[2-(4-propylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758375
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260607
6,7-dimethyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758259
1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585951
6-methyl-1'-[2-(2-nitrophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734546
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 108735144
6-chloro-1'-[4-(2,4-dichlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735075
6-chloro-5,7-dimethyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758603

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735131) is 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2.
What is the InChIKey of 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is VZOVCQCDJXDMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO4/c1-15-4-2-3-5-19(15)27-14-21(26)24-10-8-22(9-11-24)13-18(25)17-12-16(23)6-7-20(17)28-22/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 399.87 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).