4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide

C23H27FN4O2S — CID 53098505

IUPAC4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1
InChIInChI=1S/C23H27FN4O2S/c1-31-21-4-2-3-19(15-21)25-22(29)26-11-9-20(10-12-26)28-14-13-27(23(28)30)16-17-5-7-18(24)8-6-17/h2-8,15,20H,9-14,16H2,1H3,(H,25,29)
InChIKeyJTWGKKBYIZGVET-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.48
Rot. Bonds5

About 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide

4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide (PubChem CID 53098505) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
PubChem CID53098505
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1
InChIInChI=1S/C23H27FN4O2S/c1-31-21-4-2-3-19(15-21)25-22(29)26-11-9-20(10-12-26)28-14-13-27(23(28)30)16-17-5-7-18(24)8-6-17/h2-8,15,20H,9-14,16H2,1H3,(H,25,29)
InChIKeyJTWGKKBYIZGVET-UHFFFAOYSA-N
XLogP4.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide (CID 53098505) is 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide is CSc1cccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide?
The InChIKey is JTWGKKBYIZGVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-31-21-4-2-3-19(15-21)25-22(29)26-11-9-20(10-12-26)28-14-13-27(23(28)30)16-17-5-7-18(24)8-6-17/h2-8,15,20H,9-14,16H2,1H3,(H,25,29).
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide?
4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53098505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).