5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione

C16H26N4O3 — CID 164624149

IUPAC5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(C3CCCCC3)CC2)N1
InChIInChI=1S/C16H26N4O3/c21-14(7-6-13-15(22)18-16(23)17-13)20-10-8-19(9-11-20)12-4-2-1-3-5-12/h12-13H,1-11H2,(H2,17,18,22,23)
InChIKeyVEVOIBSSLJVQBH-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.45
Rot. Bonds4

About 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione

5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 164624149) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID164624149
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(C3CCCCC3)CC2)N1
InChIInChI=1S/C16H26N4O3/c21-14(7-6-13-15(22)18-16(23)17-13)20-10-8-19(9-11-20)12-4-2-1-3-5-12/h12-13H,1-11H2,(H2,17,18,22,23)
InChIKeyVEVOIBSSLJVQBH-UHFFFAOYSA-N
XLogP0.45
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]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 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 164624149) is 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(C3CCCCC3)CC2)N1.
What is the InChIKey of 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is VEVOIBSSLJVQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c21-14(7-6-13-15(22)18-16(23)17-13)20-10-8-19(9-11-20)12-4-2-1-3-5-12/h12-13H,1-11H2,(H2,17,18,22,23).
What are the key properties of 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 164624149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).