1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione

C23H40N8O4 — CID 13474249

IUPAC1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
SMILESCC(CN1CC(=O)N(CN2CCN(C)CC2)C(=O)C1)N1CC(=O)N(CN2CCN(C)CC2)C(=O)C1
InChIInChI=1S/C23H40N8O4/c1-19(29-15-22(34)31(23(35)16-29)18-27-10-6-25(3)7-11-27)12-28-13-20(32)30(21(33)14-28)17-26-8-4-24(2)5-9-26/h19H,4-18H2,1-3H3
InChIKeyKZVSJFJZFBFBLP-UHFFFAOYSA-N
MW492.63 g/mol
LogP-2.87
Rot. Bonds7

About 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione

1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione (PubChem CID 13474249) has the molecular formula C23H40N8O4 and a molecular weight of 492.63 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
PubChem CID13474249
Molecular FormulaC23H40N8O4
Molecular Weight492.63 g/mol
Exact Mass492.32
IUPAC Name1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
SMILESCC(CN1CC(=O)N(CN2CCN(C)CC2)C(=O)C1)N1CC(=O)N(CN2CCN(C)CC2)C(=O)C1
InChIInChI=1S/C23H40N8O4/c1-19(29-15-22(34)31(23(35)16-29)18-27-10-6-25(3)7-11-27)12-28-13-20(32)30(21(33)14-28)17-26-8-4-24(2)5-9-26/h19H,4-18H2,1-3H3
InChIKeyKZVSJFJZFBFBLP-UHFFFAOYSA-N
XLogP-2.87
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 5-2.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-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

4,4'-(1-Methyl-1,2-ethanediyl)bis(1-(4-morpholinylmethyl)-2,6-piperazinedione)
CID 125610
2,6-Piperazindedione, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis(1-(4-morpholinylmethyl)-, (R*,S*)-
CID 3065413
1-[(3,5-Dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
CID 13474237
1,2-Bis[4-(N-methylpiperazinomethyl)-3,5-dioxopiperazin-1-yl]-ethane
CID 13474239
1-[[Methyl(piperidin-1-yl)amino]methyl]-4-[2-[4-[[methyl(piperidin-1-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
CID 13474241
4-[2-[3,5-Dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
CID 13474243
1-[(3,5-Dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
CID 13474246
1,2-Bis(4-thiomorpholinomethyl-3,5-dioxopiperazin-1-yl)-propane
CID 13474248
4-[2-[3,5-Dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]propyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
CID 13474250
1-[[Di(propan-2-yl)amino]methyl]-4-[2-[4-[[di(propan-2-yl)amino]methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
CID 13679672
1-(Morpholin-4-ylmethyl)-4-[3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
CID 13934478
4-[3-[3,5-Dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]butan-2-yl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
CID 13934479

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione (CID 13474249) is 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione is CC(CN1CC(=O)N(CN2CCN(C)CC2)C(=O)C1)N1CC(=O)N(CN2CCN(C)CC2)C(=O)C1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?
The InChIKey is KZVSJFJZFBFBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N8O4/c1-19(29-15-22(34)31(23(35)16-29)18-27-10-6-25(3)7-11-27)12-28-13-20(32)30(21(33)14-28)17-26-8-4-24(2)5-9-26/h19H,4-18H2,1-3H3.
What are the key properties of 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione?
1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione has a molecular weight of 492.63 g/mol, XLogP of -2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione is sourced from PubChem (CID 13474249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).