1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione

C17H26N4O2 — CID 3060246

IUPAC1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione
SMILESCCN(CC)c1ccc(CN2CCN(CCN)C(=O)C2=O)cc1
InChIInChI=1S/C17H26N4O2/c1-3-19(4-2)15-7-5-14(6-8-15)13-21-12-11-20(10-9-18)16(22)17(21)23/h5-8H,3-4,9-13,18H2,1-2H3
InChIKeyBITZNYGILGMNEO-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.66
Rot. Bonds7

About 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione

1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione (PubChem CID 3060246) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione
PubChem CID3060246
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione
SMILESCCN(CC)c1ccc(CN2CCN(CCN)C(=O)C2=O)cc1
InChIInChI=1S/C17H26N4O2/c1-3-19(4-2)15-7-5-14(6-8-15)13-21-12-11-20(10-9-18)16(22)17(21)23/h5-8H,3-4,9-13,18H2,1-2H3
InChIKeyBITZNYGILGMNEO-UHFFFAOYSA-N
XLogP0.66
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione (CID 3060246) is 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione is CCN(CC)c1ccc(CN2CCN(CCN)C(=O)C2=O)cc1.
What is the InChIKey of 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione?
The InChIKey is BITZNYGILGMNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-19(4-2)15-7-5-14(6-8-15)13-21-12-11-20(10-9-18)16(22)17(21)23/h5-8H,3-4,9-13,18H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione?
1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione has a molecular weight of 318.42 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-[[4-(diethylamino)phenyl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 3060246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).