3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione

C25H32N4O4 — CID 172516805

IUPAC3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione
SMILESCN1CCN(CC2CCN(c3cccc4c3C(=O)C(C3CCC(=O)NC3=O)C4=O)CC2)CC1
InChIInChI=1S/C25H32N4O4/c1-27-11-13-28(14-12-27)15-16-7-9-29(10-8-16)19-4-2-3-17-21(19)24(32)22(23(17)31)18-5-6-20(30)26-25(18)33/h2-4,16,18,22H,5-15H2,1H3,(H,26,30,33)
InChIKeyZKIAJSUYVFJGEV-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.20
Rot. Bonds4

About 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione

3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione (PubChem CID 172516805) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione
PubChem CID172516805
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione
SMILESCN1CCN(CC2CCN(c3cccc4c3C(=O)C(C3CCC(=O)NC3=O)C4=O)CC2)CC1
InChIInChI=1S/C25H32N4O4/c1-27-11-13-28(14-12-27)15-16-7-9-29(10-8-16)19-4-2-3-17-21(19)24(32)22(23(17)31)18-5-6-20(30)26-25(18)33/h2-4,16,18,22H,5-15H2,1H3,(H,26,30,33)
InChIKeyZKIAJSUYVFJGEV-UHFFFAOYSA-N
XLogP1.20
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione 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

3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione
CID 166872046
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177190859
tert-butyl 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetate
CID 172604882
3-[4-[(3R)-3-[[4-(cyclohexylmethyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 169120332
3-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 164568094
3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione
CID 166982721
4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
CID 170049198
3-[1-methyl-7-[4-(piperidin-4-ylmethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433398
3-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 18337122
3-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoroanilino]piperidine-2,6-dione
CID 170952320
4-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrochloride
CID 166428474
3-[6-[[1-(cyclohexylmethyl)piperidin-4-yl]amino]-1-methyl-2,3-dihydroindazol-3-yl]piperidine-2,6-dione
CID 172587233

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione (CID 172516805) is 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione is CN1CCN(CC2CCN(c3cccc4c3C(=O)C(C3CCC(=O)NC3=O)C4=O)CC2)CC1.
What is the InChIKey of 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione?
The InChIKey is ZKIAJSUYVFJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-27-11-13-28(14-12-27)15-16-7-9-29(10-8-16)19-4-2-3-17-21(19)24(32)22(23(17)31)18-5-6-20(30)26-25(18)33/h2-4,16,18,22H,5-15H2,1H3,(H,26,30,33).
What are the key properties of 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione?
3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione has a molecular weight of 452.56 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 172516805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).