N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide

C25H25N5O5 — CID 170980218

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide
SMILESO=C1CCC(N2C(=O)c3ccc(NC(=O)c4ccc(CN5CCNCC5)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H25N5O5/c31-21-8-7-20(23(33)28-21)30-24(34)18-6-5-17(13-19(18)25(30)35)27-22(32)16-3-1-15(2-4-16)14-29-11-9-26-10-12-29/h1-6,13,20,26H,7-12,14H2,(H,27,32)(H,28,31,33)
InChIKeyWJJIPTHXSUFTDE-UHFFFAOYSA-N
MW475.51 g/mol
LogP0.75
Rot. Bonds5

About N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide (PubChem CID 170980218) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide
PubChem CID170980218
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide
SMILESO=C1CCC(N2C(=O)c3ccc(NC(=O)c4ccc(CN5CCNCC5)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H25N5O5/c31-21-8-7-20(23(33)28-21)30-24(34)18-6-5-17(13-19(18)25(30)35)27-22(32)16-3-1-15(2-4-16)14-29-11-9-26-10-12-29/h1-6,13,20,26H,7-12,14H2,(H,27,32)(H,28,31,33)
InChIKeyWJJIPTHXSUFTDE-UHFFFAOYSA-N
XLogP0.75
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide 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

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide;hydrochloride
CID 171329186
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 165136867
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
2-(2,6-dioxopiperidin-3-yl)-5-(2-piperazin-1-ylethylamino)isoindole-1,3-dione
CID 163294539
2-(2,6-dioxopiperidin-3-yl)-5-[[4-(2-piperazin-1-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167724738
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(piperazin-1-ylmethyl)azetidin-1-yl]methyl]isoindole-1,3-dione
CID 167730880
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperazin-1-ylazetidin-1-yl)methyl]isoindole-1,3-dione
CID 167720853
5-[(6,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724349
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enamide
CID 121448709
2-(2,6-dioxopiperidin-3-yl)-5-[(7-methyl-1,4-diazepan-1-yl)methyl]isoindole-1,3-dione
CID 167716655

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide (CID 170980218) is N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide is O=C1CCC(N2C(=O)c3ccc(NC(=O)c4ccc(CN5CCNCC5)cc4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide?
The InChIKey is WJJIPTHXSUFTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c31-21-8-7-20(23(33)28-21)30-24(34)18-6-5-17(13-19(18)25(30)35)27-22(32)16-3-1-15(2-4-16)14-29-11-9-26-10-12-29/h1-6,13,20,26H,7-12,14H2,(H,27,32)(H,28,31,33).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide has a molecular weight of 475.51 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide is sourced from PubChem (CID 170980218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).