3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

C22H25N3O7S — CID 55463024

IUPAC3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)OCCCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C22H25N3O7S/c1-14-19(15(2)32-23-14)33(29,30)24-10-5-7-16(13-24)22(28)31-12-6-11-25-20(26)17-8-3-4-9-18(17)21(25)27/h3-4,8-9,16H,5-7,10-13H2,1-2H3
InChIKeyAGLIXZFFSCWTIZ-UHFFFAOYSA-N
MW475.52 g/mol
LogP1.92
Rot. Bonds7

About 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate (PubChem CID 55463024) has the molecular formula C22H25N3O7S and a molecular weight of 475.52 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
PubChem CID55463024
Molecular FormulaC22H25N3O7S
Molecular Weight475.52 g/mol
Exact Mass475.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)OCCCN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C22H25N3O7S/c1-14-19(15(2)32-23-14)33(29,30)24-10-5-7-16(13-24)22(28)31-12-6-11-25-20(26)17-8-3-4-9-18(17)21(25)27/h3-4,8-9,16H,5-7,10-13H2,1-2H3
InChIKeyAGLIXZFFSCWTIZ-UHFFFAOYSA-N
XLogP1.92
TPSA127.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate 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

ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55541589
(3-methyl-1,2-oxazol-5-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463541
(3-carbamoylphenyl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55634238
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55462849
[2-(4-acetamidophenyl)-2-oxoethyl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463086
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55473732
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
(5-chloro-2-methoxyphenyl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 46685636
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 51265846
3-cyanopropyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
CID 43056507

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate (CID 55463024) is 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)OCCCN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate?
The InChIKey is AGLIXZFFSCWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O7S/c1-14-19(15(2)32-23-14)33(29,30)24-10-5-7-16(13-24)22(28)31-12-6-11-25-20(26)17-8-3-4-9-18(17)21(25)27/h3-4,8-9,16H,5-7,10-13H2,1-2H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate?
3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate has a molecular weight of 475.52 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)propyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate is sourced from PubChem (CID 55463024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).