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

C13H17N5O3 — CID 70754418

IUPAC3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C13H17N5O3/c19-10-6-16-13(21)18(10)8-11(20)17-5-1-2-9(7-17)12-14-3-4-15-12/h3-4,9H,1-2,5-8H2,(H,14,15)(H,16,21)
InChIKeyPRRZOBYCPUJONV-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.33
Rot. Bonds3

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

3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 70754418) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID70754418
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C13H17N5O3/c19-10-6-16-13(21)18(10)8-11(20)17-5-1-2-9(7-17)12-14-3-4-15-12/h3-4,9H,1-2,5-8H2,(H,14,15)(H,16,21)
InChIKeyPRRZOBYCPUJONV-UHFFFAOYSA-N
XLogP-0.33
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[3-(1H-imidazol-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

Related Compounds

3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 43415749
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70735417
3-[2-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110104034
3-[2-oxo-2-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 125001259
3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 77088791
3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 60624274
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 72842570
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 79029328
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 70755119

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 70754418) is 3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is PRRZOBYCPUJONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c19-10-6-16-13(21)18(10)8-11(20)17-5-1-2-9(7-17)12-14-3-4-15-12/h3-4,9H,1-2,5-8H2,(H,14,15)(H,16,21).
What are the key properties of 3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 291.31 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70754418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).