1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione

C21H24N4O2 — CID 59362307

IUPAC1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1
InChIInChI=1S/C21H24N4O2/c26-20-15-25(21(27)23-20)13-16-7-9-17(10-8-16)19-6-4-5-18(22-19)14-24-11-2-1-3-12-24/h4-10H,1-3,11-15H2,(H,23,26,27)
InChIKeyWWYXXSRNGKGZSH-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.79
Rot. Bonds5

About 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione

1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 59362307) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID59362307
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1
InChIInChI=1S/C21H24N4O2/c26-20-15-25(21(27)23-20)13-16-7-9-17(10-8-16)19-6-4-5-18(22-19)14-24-11-2-1-3-12-24/h4-10H,1-3,11-15H2,(H,23,26,27)
InChIKeyWWYXXSRNGKGZSH-UHFFFAOYSA-N
XLogP2.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]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 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (CID 59362307) is 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1.
What is the InChIKey of 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is WWYXXSRNGKGZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-15-25(21(27)23-20)13-16-7-9-17(10-8-16)19-6-4-5-18(22-19)14-24-11-2-1-3-12-24/h4-10H,1-3,11-15H2,(H,23,26,27).
What are the key properties of 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59362307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).