3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C15H21N5O3 — CID 110104034

IUPAC3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cn(C)c(C2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1
InChIInChI=1S/C15H21N5O3/c1-10-7-18(2)14(17-10)11-4-3-5-19(8-11)13(22)9-20-12(21)6-16-15(20)23/h7,11H,3-6,8-9H2,1-2H3,(H,16,23)
InChIKeyHGSRTPJFKQVXRU-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.01
Rot. Bonds3

About 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 110104034) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID110104034
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cn(C)c(C2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1
InChIInChI=1S/C15H21N5O3/c1-10-7-18(2)14(17-10)11-4-3-5-19(8-11)13(22)9-20-12(21)6-16-15(20)23/h7,11H,3-6,8-9H2,1-2H3,(H,16,23)
InChIKeyHGSRTPJFKQVXRU-UHFFFAOYSA-N
XLogP-0.01
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-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-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 110104034) is 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1cn(C)c(C2CCCN(C(=O)CN3C(=O)CNC3=O)C2)n1.
What is the InChIKey of 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is HGSRTPJFKQVXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10-7-18(2)14(17-10)11-4-3-5-19(8-11)13(22)9-20-12(21)6-16-15(20)23/h7,11H,3-6,8-9H2,1-2H3,(H,16,23).
What are the key properties of 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 319.37 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 110104034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).