1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea

C8H14N4O3 — CID 135296477

IUPAC1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
SMILESCNC(=O)N(NC)C1CCC(=O)NC1=O
InChIInChI=1S/C8H14N4O3/c1-9-8(15)12(10-2)5-3-4-6(13)11-7(5)14/h5,10H,3-4H2,1-2H3,(H,9,15)(H,11,13,14)
InChIKeyYFPHOIDOEHVMCK-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.43
Rot. Bonds2

About 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea

1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea (PubChem CID 135296477) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea.

Molecular Properties

Compound Name1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
PubChem CID135296477
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
SMILESCNC(=O)N(NC)C1CCC(=O)NC1=O
InChIInChI=1S/C8H14N4O3/c1-9-8(15)12(10-2)5-3-4-6(13)11-7(5)14/h5,10H,3-4H2,1-2H3,(H,9,15)(H,11,13,14)
InChIKeyYFPHOIDOEHVMCK-UHFFFAOYSA-N
XLogP-1.43
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea 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-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea?
The IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea (CID 135296477) is 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea.
What is the SMILES notation for 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea?
The canonical SMILES for 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea is CNC(=O)N(NC)C1CCC(=O)NC1=O.
What is the InChIKey of 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea?
The InChIKey is YFPHOIDOEHVMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-9-8(15)12(10-2)5-3-4-6(13)11-7(5)14/h5,10H,3-4H2,1-2H3,(H,9,15)(H,11,13,14).
What are the key properties of 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea?
1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea has a molecular weight of 214.22 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea is sourced from PubChem (CID 135296477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).