methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate

C24H25NO5 — CID 108739950

IUPACmethyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)N2CCC3(CC2)CC(=O)c2c(C)cc(C)cc2O3)c1
InChIInChI=1S/C24H25NO5/c1-15-11-16(2)21-19(26)14-24(30-20(21)12-15)7-9-25(10-8-24)22(27)17-5-4-6-18(13-17)23(28)29-3/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeySQRZJWFNVZVMDA-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.73
Rot. Bonds2

About methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate

methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate (PubChem CID 108739950) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
PubChem CID108739950
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Namemethyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)N2CCC3(CC2)CC(=O)c2c(C)cc(C)cc2O3)c1
InChIInChI=1S/C24H25NO5/c1-15-11-16(2)21-19(26)14-24(30-20(21)12-15)7-9-25(10-8-24)22(27)17-5-4-6-18(13-17)23(28)29-3/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeySQRZJWFNVZVMDA-UHFFFAOYSA-N
XLogP3.73
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108726226
5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782711
5,7-dimethyl-1'-[2-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762474
1'-(3,4-dimethylbenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726277
6-chloro-7-methyl-1'-(3-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735213
N-[3-(6,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 108758014
1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 108739931
5,7-dimethyl-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739905
1'-(1-acetylpiperidine-4-carbonyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739907
1'-[2-(4-bromophenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739938
2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762522
1'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762545

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate?
The IUPAC name of methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate (CID 108739950) is methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate.
What is the SMILES notation for methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate?
The canonical SMILES for methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate is COC(=O)c1cccc(C(=O)N2CCC3(CC2)CC(=O)c2c(C)cc(C)cc2O3)c1.
What is the InChIKey of methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate?
The InChIKey is SQRZJWFNVZVMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-15-11-16(2)21-19(26)14-24(30-20(21)12-15)7-9-25(10-8-24)22(27)17-5-4-6-18(13-17)23(28)29-3/h4-6,11-13H,7-10,14H2,1-3H3.
What are the key properties of methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate?
methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate has a molecular weight of 407.47 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate is sourced from PubChem (CID 108739950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).