1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione

C11H18N4O2 — CID 122640360

IUPAC1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione
SMILESCCCCN1CCN(C2NC=CN2)C(=O)C1=O
InChIInChI=1S/C11H18N4O2/c1-2-3-6-14-7-8-15(10(17)9(14)16)11-12-4-5-13-11/h4-5,11-13H,2-3,6-8H2,1H3
InChIKeyFEGOYIUYLGHSGD-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.60
Rot. Bonds4

About 1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione

1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione (PubChem CID 122640360) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione
PubChem CID122640360
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione
SMILESCCCCN1CCN(C2NC=CN2)C(=O)C1=O
InChIInChI=1S/C11H18N4O2/c1-2-3-6-14-7-8-15(10(17)9(14)16)11-12-4-5-13-11/h4-5,11-13H,2-3,6-8H2,1H3
InChIKeyFEGOYIUYLGHSGD-UHFFFAOYSA-N
XLogP-0.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione?
The IUPAC name of 1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione (CID 122640360) is 1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione.
What is the SMILES notation for 1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione?
The canonical SMILES for 1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione is CCCCN1CCN(C2NC=CN2)C(=O)C1=O.
What is the InChIKey of 1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione?
The InChIKey is FEGOYIUYLGHSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-3-6-14-7-8-15(10(17)9(14)16)11-12-4-5-13-11/h4-5,11-13H,2-3,6-8H2,1H3.
What are the key properties of 1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione?
1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione has a molecular weight of 238.29 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,3-dihydro-1H-imidazol-2-yl)piperazine-2,3-dione is sourced from PubChem (CID 122640360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).