ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate

C28H30N2O6 — CID 108757852

IUPACethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CC(C(=O)N3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)CC2=O)cc1
InChIInChI=1S/C28H30N2O6/c1-3-35-27(34)19-5-7-21(8-6-19)30-17-20(15-25(30)32)26(33)29-12-10-28(11-13-29)16-23(31)22-14-18(2)4-9-24(22)36-28/h4-9,14,20H,3,10-13,15-17H2,1-2H3
InChIKeyCLBVIGZSOGKAAB-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.55
Rot. Bonds4

About ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate

ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate (PubChem CID 108757852) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
PubChem CID108757852
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC Nameethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CC(C(=O)N3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)CC2=O)cc1
InChIInChI=1S/C28H30N2O6/c1-3-35-27(34)19-5-7-21(8-6-19)30-17-20(15-25(30)32)26(33)29-12-10-28(11-13-29)16-23(31)22-14-18(2)4-9-24(22)36-28/h4-9,14,20H,3,10-13,15-17H2,1-2H3
InChIKeyCLBVIGZSOGKAAB-UHFFFAOYSA-N
XLogP3.55
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate with MolForge

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Related Compounds

1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 18573660
1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809874
(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7232453
1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585966
propyl 4-[4-(4-carbamoylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 42654543
6-methoxy-1'-[1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746466
[2-(4-methylphenyl)-2-oxoethyl] 1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4043923
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 11837784
ethyl (3S)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 1241715
1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734708

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate (CID 108757852) is ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate is CCOC(=O)c1ccc(N2CC(C(=O)N3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)CC2=O)cc1.
What is the InChIKey of ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate?
The InChIKey is CLBVIGZSOGKAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-3-35-27(34)19-5-7-21(8-6-19)30-17-20(15-25(30)32)26(33)29-12-10-28(11-13-29)16-23(31)22-14-18(2)4-9-24(22)36-28/h4-9,14,20H,3,10-13,15-17H2,1-2H3.
What are the key properties of ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate?
ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate has a molecular weight of 490.56 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 108757852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).