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

C22H38N8O4 — CID 13474239

IUPAC1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
SMILESCN1CCN(CN2C(=O)CN(CCN3CC(=O)N(CN4CCN(C)CC4)C(=O)C3)CC2=O)CC1
InChIInChI=1S/C22H38N8O4/c1-23-3-7-25(8-4-23)17-29-19(31)13-27(14-20(29)32)11-12-28-15-21(33)30(22(34)16-28)18-26-9-5-24(2)6-10-26/h3-18H2,1-2H3
InChIKeyWSJUIIGWXIMEOZ-UHFFFAOYSA-N
MW478.60 g/mol
LogP-3.26
Rot. Bonds7

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

1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione (PubChem CID 13474239) has the molecular formula C22H38N8O4 and a molecular weight of 478.60 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]ethyl]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]ethyl]piperazine-2,6-dione
PubChem CID13474239
Molecular FormulaC22H38N8O4
Molecular Weight478.60 g/mol
Exact Mass478.30
IUPAC Name1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
SMILESCN1CCN(CN2C(=O)CN(CCN3CC(=O)N(CN4CCN(C)CC4)C(=O)C3)CC2=O)CC1
InChIInChI=1S/C22H38N8O4/c1-23-3-7-25(8-4-23)17-29-19(31)13-27(14-20(29)32)11-12-28-15-21(33)30(22(34)16-28)18-26-9-5-24(2)6-10-26/h3-18H2,1-2H3
InChIKeyWSJUIIGWXIMEOZ-UHFFFAOYSA-N
XLogP-3.26
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 5-3.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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]ethyl]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]ethyl]piperazine-2,6-dione (CID 13474239) is 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]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]ethyl]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]ethyl]piperazine-2,6-dione is CN1CCN(CN2C(=O)CN(CCN3CC(=O)N(CN4CCN(C)CC4)C(=O)C3)CC2=O)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione?
The InChIKey is WSJUIIGWXIMEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N8O4/c1-23-3-7-25(8-4-23)17-29-19(31)13-27(14-20(29)32)11-12-28-15-21(33)30(22(34)16-28)18-26-9-5-24(2)6-10-26/h3-18H2,1-2H3.
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]ethyl]piperazine-2,6-dione?
1-[(4-methylpiperazin-1-yl)methyl]-4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione has a molecular weight of 478.60 g/mol, XLogP of -3.26, 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]ethyl]piperazine-2,6-dione is sourced from PubChem (CID 13474239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).