1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

C15H29N5O2 — CID 67675682

IUPAC1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCN(C)CCN1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N5O2/c1-16(2)4-7-18-8-12-20(13-9-18)15(22)14(21)19-10-5-17(3)6-11-19/h4-13H2,1-3H3
InChIKeyXZQBQOGQEFDWNF-UHFFFAOYSA-N
MW311.43 g/mol
LogP-1.53
Rot. Bonds3

About 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 67675682) has the molecular formula C15H29N5O2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
PubChem CID67675682
Molecular FormulaC15H29N5O2
Molecular Weight311.43 g/mol
Exact Mass311.23
IUPAC Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCN(C)CCN1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N5O2/c1-16(2)4-7-18-8-12-20(13-9-18)15(22)14(21)19-10-5-17(3)6-11-19/h4-13H2,1-3H3
InChIKeyXZQBQOGQEFDWNF-UHFFFAOYSA-N
XLogP-1.53
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (CID 67675682) is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is CN(C)CCN1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is XZQBQOGQEFDWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O2/c1-16(2)4-7-18-8-12-20(13-9-18)15(22)14(21)19-10-5-17(3)6-11-19/h4-13H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 311.43 g/mol, XLogP of -1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 67675682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).