3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione

C13H18N4O2 — CID 66150184

IUPAC3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(n2cncc2CNC2CC2)C1=O
InChIInChI=1S/C13H18N4O2/c1-16-12(18)5-4-11(13(16)19)17-8-14-6-10(17)7-15-9-2-3-9/h6,8-9,11,15H,2-5,7H2,1H3
InChIKeyUIBSYWPADPZLBT-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds4

About 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione

3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione (PubChem CID 66150184) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione
PubChem CID66150184
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(n2cncc2CNC2CC2)C1=O
InChIInChI=1S/C13H18N4O2/c1-16-12(18)5-4-11(13(16)19)17-8-14-6-10(17)7-15-9-2-3-9/h6,8-9,11,15H,2-5,7H2,1H3
InChIKeyUIBSYWPADPZLBT-UHFFFAOYSA-N
XLogP0.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-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 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione (CID 66150184) is 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(n2cncc2CNC2CC2)C1=O.
What is the InChIKey of 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione?
The InChIKey is UIBSYWPADPZLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-12(18)5-4-11(13(16)19)17-8-14-6-10(17)7-15-9-2-3-9/h6,8-9,11,15H,2-5,7H2,1H3.
What are the key properties of 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione?
3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 66150184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).