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

C22H22ClNO4 — CID 108735171

IUPAC6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cccc(OCC(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)c1
InChIInChI=1S/C22H22ClNO4/c1-15-3-2-4-17(11-15)27-14-21(26)24-9-7-22(8-10-24)13-19(25)18-12-16(23)5-6-20(18)28-22/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyMUAPNCBVMLSKNG-UHFFFAOYSA-N
MW399.87 g/mol
LogP4.05
Rot. Bonds3

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

6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735171) has the molecular formula C22H22ClNO4 and a molecular weight of 399.87 g/mol. Its IUPAC name is 6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735171
Molecular FormulaC22H22ClNO4
Molecular Weight399.87 g/mol
Exact Mass399.12
IUPAC Name6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cccc(OCC(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)c1
InChIInChI=1S/C22H22ClNO4/c1-15-3-2-4-17(11-15)27-14-21(26)24-9-7-22(8-10-24)13-19(25)18-12-16(23)5-6-20(18)28-22/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyMUAPNCBVMLSKNG-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

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Related Compounds

6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735131
1'-[2-(2,5-dichlorophenoxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757863
6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746498
6-chloro-1'-[2-(4-propylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758375
1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46960370
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
1'-[2-(4-chloro-3-methylphenoxy)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758251
6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734544
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
1-(4-chlorophenyl)-4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)butane-1,4-dione
CID 108734581
6-methyl-1'-[2-(2-nitrophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734546
1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 108735144

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735171) is 6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cccc(OCC(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)c1.
What is the InChIKey of 6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is MUAPNCBVMLSKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO4/c1-15-3-2-4-17(11-15)27-14-21(26)24-9-7-22(8-10-24)13-19(25)18-12-16(23)5-6-20(18)28-22/h2-6,11-12H,7-10,13-14H2,1H3.
What are the key properties of 6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-1'-[2-(3-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-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).