3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione

C23H27FN4O2 — CID 46220003

IUPAC3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C23H27FN4O2/c1-2-28-22(29)16-27(23(28)30)14-17-6-8-18(9-7-17)20-11-10-19(24)21(25-20)15-26-12-4-3-5-13-26/h6-11H,2-5,12-16H2,1H3
InChIKeyXAFIFBYCSPTLGK-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.66
Rot. Bonds6

About 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione

3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 46220003) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID46220003
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O
InChIInChI=1S/C23H27FN4O2/c1-2-28-22(29)16-27(23(28)30)14-17-6-8-18(9-7-17)20-11-10-19(24)21(25-20)15-26-12-4-3-5-13-26/h6-11H,2-5,12-16H2,1H3
InChIKeyXAFIFBYCSPTLGK-UHFFFAOYSA-N
XLogP3.66
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.66
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-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione (CID 46220003) is 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is CCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O.
What is the InChIKey of 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is XAFIFBYCSPTLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-2-28-22(29)16-27(23(28)30)14-17-6-8-18(9-7-17)20-11-10-19(24)21(25-20)15-26-12-4-3-5-13-26/h6-11H,2-5,12-16H2,1H3.
What are the key properties of 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione?
3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 410.49 g/mol, XLogP of 3.66, 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-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46220003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).