1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+)

C22H31N5O3U — CID 163658694

IUPAC1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+)
SMILES[CH2-]CCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O.[CH2-]CN1CCNCC1.[U+2]
InChIInChI=1S/C16H18N3O3.C6H13N2.U/c1-3-5-10-6-4-7-11-14(10)18(2)16(22)19(11)12-8-9-13(20)17-15(12)21;1-2-8-5-3-7-4-6-8;/h4,6-7,12H,1,3,5,8-9H2,2H3,(H,17,20,21);7H,1-6H2;/q2*-1;+2
InChIKeyAXJZNZDQICMNAV-UHFFFAOYSA-N
MW651.55 g/mol
LogP0.81
Rot. Bonds4

About 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+)

1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+) (PubChem CID 163658694) has the molecular formula C22H31N5O3U and a molecular weight of 651.55 g/mol. Its IUPAC name is 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+).

Molecular Properties

Compound Name1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+)
PubChem CID163658694
Molecular FormulaC22H31N5O3U
Molecular Weight651.55 g/mol
Exact Mass651.29
IUPAC Name1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+)
SMILES[CH2-]CCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O.[CH2-]CN1CCNCC1.[U+2]
InChIInChI=1S/C16H18N3O3.C6H13N2.U/c1-3-5-10-6-4-7-11-14(10)18(2)16(22)19(11)12-8-9-13(20)17-15(12)21;1-2-8-5-3-7-4-6-8;/h4,6-7,12H,1,3,5,8-9H2,2H3,(H,17,20,21);7H,1-6H2;/q2*-1;+2
InChIKeyAXJZNZDQICMNAV-UHFFFAOYSA-N
XLogP0.81
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.55
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+)?
The IUPAC name of 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+) (CID 163658694) is 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+).
What is the SMILES notation for 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+)?
The canonical SMILES for 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+) is [CH2-]CCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O.[CH2-]CN1CCNCC1.[U+2].
What is the InChIKey of 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+)?
The InChIKey is AXJZNZDQICMNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N3O3.C6H13N2.U/c1-3-5-10-6-4-7-11-14(10)18(2)16(22)19(11)12-8-9-13(20)17-15(12)21;1-2-8-5-3-7-4-6-8;/h4,6-7,12H,1,3,5,8-9H2,2H3,(H,17,20,21);7H,1-6H2;/q2*-1;+2.
What are the key properties of 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+)?
1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+) has a molecular weight of 651.55 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperazine;3-(3-methyl-2-oxo-4-propylbenzimidazol-1-yl)piperidine-2,6-dione;uranium(2+) is sourced from PubChem (CID 163658694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).