2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

C26H26N2O5 — CID 108762522

IUPAC2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCc1cc(C)c2c(c1)OC1(CCN(C(=O)C(C)N3C(=O)c4ccccc4C3=O)CC1)CC2=O
InChIInChI=1S/C26H26N2O5/c1-15-12-16(2)22-20(29)14-26(33-21(22)13-15)8-10-27(11-9-26)23(30)17(3)28-24(31)18-6-4-5-7-19(18)25(28)32/h4-7,12-13,17H,8-11,14H2,1-3H3
InChIKeyYRYJHFXUMGQGTG-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.31
Rot. Bonds2

About 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 108762522) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID108762522
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCc1cc(C)c2c(c1)OC1(CCN(C(=O)C(C)N3C(=O)c4ccccc4C3=O)CC1)CC2=O
InChIInChI=1S/C26H26N2O5/c1-15-12-16(2)22-20(29)14-26(33-21(22)13-15)8-10-27(11-9-26)23(30)17(3)28-24(31)18-6-4-5-7-19(18)25(28)32/h4-7,12-13,17H,8-11,14H2,1-3H3
InChIKeyYRYJHFXUMGQGTG-UHFFFAOYSA-N
XLogP3.31
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108758656
5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762584
1'-[2-(4-bromophenoxy)propanoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739965
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'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
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
1'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762545
methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108739950
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (CID 108762522) is 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is Cc1cc(C)c2c(c1)OC1(CCN(C(=O)C(C)N3C(=O)c4ccccc4C3=O)CC1)CC2=O.
What is the InChIKey of 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is YRYJHFXUMGQGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-15-12-16(2)22-20(29)14-26(33-21(22)13-15)8-10-27(11-9-26)23(30)17(3)28-24(31)18-6-4-5-7-19(18)25(28)32/h4-7,12-13,17H,8-11,14H2,1-3H3.
What are the key properties of 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 446.50 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 108762522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).