1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione

C20H27N7O4 — CID 144731619

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione
SMILESCC1CCC(=O)N(CCc2cnc[nH]2)C1=O.O=C1CCCC(=O)N1CCn1cncn1
InChIInChI=1S/C11H15N3O2.C9H12N4O2/c1-8-2-3-10(15)14(11(8)16)5-4-9-6-12-7-13-9;14-8-2-1-3-9(15)13(8)5-4-12-7-10-6-11-12/h6-8H,2-5H2,1H3,(H,12,13);6-7H,1-5H2
InChIKeyKXIXZNXKSJAOHJ-UHFFFAOYSA-N
MW429.48 g/mol
LogP0.55
Rot. Bonds6

About 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione

1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione (PubChem CID 144731619) has the molecular formula C20H27N7O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione
PubChem CID144731619
Molecular FormulaC20H27N7O4
Molecular Weight429.48 g/mol
Exact Mass429.21
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione
SMILESCC1CCC(=O)N(CCc2cnc[nH]2)C1=O.O=C1CCCC(=O)N1CCn1cncn1
InChIInChI=1S/C11H15N3O2.C9H12N4O2/c1-8-2-3-10(15)14(11(8)16)5-4-9-6-12-7-13-9;14-8-2-1-3-9(15)13(8)5-4-12-7-10-6-11-12/h6-8H,2-5H2,1H3,(H,12,13);6-7H,1-5H2
InChIKeyKXIXZNXKSJAOHJ-UHFFFAOYSA-N
XLogP0.55
TPSA134.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-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 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione (CID 144731619) is 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione is CC1CCC(=O)N(CCc2cnc[nH]2)C1=O.O=C1CCCC(=O)N1CCn1cncn1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione?
The InChIKey is KXIXZNXKSJAOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.C9H12N4O2/c1-8-2-3-10(15)14(11(8)16)5-4-9-6-12-7-13-9;14-8-2-1-3-9(15)13(8)5-4-12-7-10-6-11-12/h6-8H,2-5H2,1H3,(H,12,13);6-7H,1-5H2.
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione?
1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione has a molecular weight of 429.48 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-3-methylpiperidine-2,6-dione;1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 144731619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).