4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione

C22H38N8O4 — CID 70517213

IUPAC4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione
SMILESCC(N1CCNCC1)N1C(=O)CN(CCN2CC(=O)N(C(C)N3CCNCC3)C(=O)C2)CC1=O
InChIInChI=1S/C22H38N8O4/c1-17(27-7-3-23-4-8-27)29-19(31)13-25(14-20(29)32)11-12-26-15-21(33)30(22(34)16-26)18(2)28-9-5-24-6-10-28/h17-18,23-24H,3-16H2,1-2H3
InChIKeyGGAOHXKTHAGSQS-UHFFFAOYSA-N
MW478.60 g/mol
LogP-3.17
Rot. Bonds7

About 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione

4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione (PubChem CID 70517213) has the molecular formula C22H38N8O4 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione
PubChem CID70517213
Molecular FormulaC22H38N8O4
Molecular Weight478.60 g/mol
Exact Mass478.30
IUPAC Name4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione
SMILESCC(N1CCNCC1)N1C(=O)CN(CCN2CC(=O)N(C(C)N3CCNCC3)C(=O)C2)CC1=O
InChIInChI=1S/C22H38N8O4/c1-17(27-7-3-23-4-8-27)29-19(31)13-25(14-20(29)32)11-12-26-15-21(33)30(22(34)16-26)18(2)28-9-5-24-6-10-28/h17-18,23-24H,3-16H2,1-2H3
InChIKeyGGAOHXKTHAGSQS-UHFFFAOYSA-N
XLogP-3.17
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 5-3.17
H-Bond Donors ≤ 52
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 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione?
The IUPAC name of 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione (CID 70517213) is 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione is CC(N1CCNCC1)N1C(=O)CN(CCN2CC(=O)N(C(C)N3CCNCC3)C(=O)C2)CC1=O.
What is the InChIKey of 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione?
The InChIKey is GGAOHXKTHAGSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N8O4/c1-17(27-7-3-23-4-8-27)29-19(31)13-25(14-20(29)32)11-12-26-15-21(33)30(22(34)16-26)18(2)28-9-5-24-6-10-28/h17-18,23-24H,3-16H2,1-2H3.
What are the key properties of 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione?
4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione has a molecular weight of 478.60 g/mol, XLogP of -3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-dioxo-4-(1-piperazin-1-ylethyl)piperazin-1-yl]ethyl]-1-(1-piperazin-1-ylethyl)piperazine-2,6-dione is sourced from PubChem (CID 70517213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).