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

C23H28N4O2 — CID 46220002

IUPAC3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCCN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C23H28N4O2/c1-2-27-22(28)17-26(23(27)29)15-18-9-11-19(12-10-18)21-8-6-7-20(24-21)16-25-13-4-3-5-14-25/h6-12H,2-5,13-17H2,1H3
InChIKeyICEQXLWKTMVQNR-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.52
Rot. Bonds6

About 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione

3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 46220002) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID46220002
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCCN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C23H28N4O2/c1-2-27-22(28)17-26(23(27)29)15-18-9-11-19(12-10-18)21-8-6-7-20(24-21)16-25-13-4-3-5-14-25/h6-12H,2-5,13-17H2,1H3
InChIKeyICEQXLWKTMVQNR-UHFFFAOYSA-N
XLogP3.52
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (CID 46220002) is 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is CCN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O.
What is the InChIKey of 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is ICEQXLWKTMVQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-27-22(28)17-26(23(27)29)15-18-9-11-19(12-10-18)21-8-6-7-20(24-21)16-25-13-4-3-5-14-25/h6-12H,2-5,13-17H2,1H3.
What are the key properties of 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46220002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).