(3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium

C20H36N4O2U4-4 — CID 164668826

IUPAC(3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium
SMILES[CH2-]CN(C[CH2-])CCCC[C@@H]1NC(=O)[C@H](CCCCN(C[CH2-])C[CH2-])NC1=O.[U].[U].[U].[U]
InChIInChI=1S/C20H36N4O2.4U/c1-5-23(6-2)15-11-9-13-17-19(25)22-18(20(26)21-17)14-10-12-16-24(7-3)8-4;;;;/h17-18H,1-16H2,(H,21,26)(H,22,25);;;;/q-4;;;;/t17-,18-;;;;/m0..../s1
InChIKeyKXZFNHVKRJAFSX-WSNGVDDISA-N
MW1316.65 g/mol
LogP1.25
Rot. Bonds14

About (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium

(3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium (PubChem CID 164668826) has the molecular formula C20H36N4O2U4-4 and a molecular weight of 1316.65 g/mol. Its IUPAC name is (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium.

Molecular Properties

Compound Name(3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium
PubChem CID164668826
Molecular FormulaC20H36N4O2U4-4
Molecular Weight1316.65 g/mol
Exact Mass1316.49
IUPAC Name(3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium
SMILES[CH2-]CN(C[CH2-])CCCC[C@@H]1NC(=O)[C@H](CCCCN(C[CH2-])C[CH2-])NC1=O.[U].[U].[U].[U]
InChIInChI=1S/C20H36N4O2.4U/c1-5-23(6-2)15-11-9-13-17-19(25)22-18(20(26)21-17)14-10-12-16-24(7-3)8-4;;;;/h17-18H,1-16H2,(H,21,26)(H,22,25);;;;/q-4;;;;/t17-,18-;;;;/m0..../s1
InChIKeyKXZFNHVKRJAFSX-WSNGVDDISA-N
XLogP1.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001316.65
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium?
The IUPAC name of (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium (CID 164668826) is (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium.
What is the SMILES notation for (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium?
The canonical SMILES for (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium is [CH2-]CN(C[CH2-])CCCC[C@@H]1NC(=O)[C@H](CCCCN(C[CH2-])C[CH2-])NC1=O.[U].[U].[U].[U].
What is the InChIKey of (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium?
The InChIKey is KXZFNHVKRJAFSX-WSNGVDDISA-N. The full InChI is InChI=1S/C20H36N4O2.4U/c1-5-23(6-2)15-11-9-13-17-19(25)22-18(20(26)21-17)14-10-12-16-24(7-3)8-4;;;;/h17-18H,1-16H2,(H,21,26)(H,22,25);;;;/q-4;;;;/t17-,18-;;;;/m0..../s1.
What are the key properties of (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium?
(3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium has a molecular weight of 1316.65 g/mol, XLogP of 1.25, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-bis[4-[di(ethyl)amino]butyl]piperazine-2,5-dione;uranium is sourced from PubChem (CID 164668826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).