methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate

C23H24F4N4O3 — CID 71572675

IUPACmethyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCN(C3CCN(c4ncc(C(F)(F)F)cc4F)CC3)C2=O)cc1
InChIInChI=1S/C23H24F4N4O3/c1-34-21(32)16-4-2-15(3-5-16)14-30-10-11-31(22(30)33)18-6-8-29(9-7-18)20-19(24)12-17(13-28-20)23(25,26)27/h2-5,12-13,18H,6-11,14H2,1H3
InChIKeyYCQPXDYAILAZKU-UHFFFAOYSA-N
MW480.46 g/mol
LogP3.93
Rot. Bonds5

About methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate

methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate (PubChem CID 71572675) has the molecular formula C23H24F4N4O3 and a molecular weight of 480.46 g/mol. Its IUPAC name is methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate
PubChem CID71572675
Molecular FormulaC23H24F4N4O3
Molecular Weight480.46 g/mol
Exact Mass480.18
IUPAC Namemethyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCN(C3CCN(c4ncc(C(F)(F)F)cc4F)CC3)C2=O)cc1
InChIInChI=1S/C23H24F4N4O3/c1-34-21(32)16-4-2-15(3-5-16)14-30-10-11-31(22(30)33)18-6-8-29(9-7-18)20-19(24)12-17(13-28-20)23(25,26)27/h2-5,12-13,18H,6-11,14H2,1H3
InChIKeyYCQPXDYAILAZKU-UHFFFAOYSA-N
XLogP3.93
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate with MolForge

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Related Compounds

1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one
CID 71572678
1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 71572230
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
CID 154464385
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
methyl 4-[[[(2R)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanoyl]amino]methyl]benzoate
CID 38069497
methyl 4-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzoate
CID 28942654
6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 71112161
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
methyl 2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146526064
methyl 4-[(4-cyclopropylpiperazin-1-yl)methyl]benzoate
CID 61441365
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165431893
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] benzoate
CID 1483732

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate (CID 71572675) is methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCN(C3CCN(c4ncc(C(F)(F)F)cc4F)CC3)C2=O)cc1.
What is the InChIKey of methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate?
The InChIKey is YCQPXDYAILAZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O3/c1-34-21(32)16-4-2-15(3-5-16)14-30-10-11-31(22(30)33)18-6-8-29(9-7-18)20-19(24)12-17(13-28-20)23(25,26)27/h2-5,12-13,18H,6-11,14H2,1H3.
What are the key properties of methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate?
methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate has a molecular weight of 480.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate is sourced from PubChem (CID 71572675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).