4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide

C28H34N4O5 — CID 67140183

IUPAC4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(C(CCC(N)=O)N2C(=O)c3cccc(N4CCN(C5CCC5)CC4)c3C2=O)cc1OC
InChIInChI=1S/C28H34N4O5/c1-36-23-11-9-18(17-24(23)37-2)21(10-12-25(29)33)32-27(34)20-7-4-8-22(26(20)28(32)35)31-15-13-30(14-16-31)19-5-3-6-19/h4,7-9,11,17,19,21H,3,5-6,10,12-16H2,1-2H3,(H2,29,33)
InChIKeyWRKWHMRFUFXDGE-UHFFFAOYSA-N
MW506.60 g/mol
LogP2.98
Rot. Bonds9

About 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide

4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide (PubChem CID 67140183) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide
PubChem CID67140183
Molecular FormulaC28H34N4O5
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC Name4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(C(CCC(N)=O)N2C(=O)c3cccc(N4CCN(C5CCC5)CC4)c3C2=O)cc1OC
InChIInChI=1S/C28H34N4O5/c1-36-23-11-9-18(17-24(23)37-2)21(10-12-25(29)33)32-27(34)20-7-4-8-22(26(20)28(32)35)31-15-13-30(14-16-31)19-5-3-6-19/h4,7-9,11,17,19,21H,3,5-6,10,12-16H2,1-2H3,(H2,29,33)
InChIKeyWRKWHMRFUFXDGE-UHFFFAOYSA-N
XLogP2.98
TPSA105.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide (CID 67140183) is 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide is COc1ccc(C(CCC(N)=O)N2C(=O)c3cccc(N4CCN(C5CCC5)CC4)c3C2=O)cc1OC.
What is the InChIKey of 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is WRKWHMRFUFXDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-36-23-11-9-18(17-24(23)37-2)21(10-12-25(29)33)32-27(34)20-7-4-8-22(26(20)28(32)35)31-15-13-30(14-16-31)19-5-3-6-19/h4,7-9,11,17,19,21H,3,5-6,10,12-16H2,1-2H3,(H2,29,33).
What are the key properties of 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide?
4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 506.60 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclobutylpiperazin-1-yl)-1,3-dioxoisoindol-2-yl]-4-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 67140183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).