methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate

C15H20F3N3O3 — CID 84597767

IUPACmethyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O3/c1-9-7-11(13(19-9)14(23)24-2)20-12(22)8-21-5-3-10(4-6-21)15(16,17)18/h7,10,19H,3-6,8H2,1-2H3,(H,20,22)
InChIKeyHESSAMKVHZVGNS-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.32
Rot. Bonds4

About methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate

methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate (PubChem CID 84597767) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate
PubChem CID84597767
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Namemethyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O3/c1-9-7-11(13(19-9)14(23)24-2)20-12(22)8-21-5-3-10(4-6-21)15(16,17)18/h7,10,19H,3-6,8H2,1-2H3,(H,20,22)
InChIKeyHESSAMKVHZVGNS-UHFFFAOYSA-N
XLogP2.32
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 56785874
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
dimethyl 5-[[2-[4-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 43062015
methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate
CID 75431714
dimethyl 5-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 18292355
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N-(4-fluoro-2-methylphenyl)-2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
CID 124844222
N-(5-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801664
methyl 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 43556558
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
ethyl 3-methyl-5-[[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 41380519

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate (CID 84597767) is methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)cc1NC(=O)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate?
The InChIKey is HESSAMKVHZVGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-9-7-11(13(19-9)14(23)24-2)20-12(22)8-21-5-3-10(4-6-21)15(16,17)18/h7,10,19H,3-6,8H2,1-2H3,(H,20,22).
What are the key properties of methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate?
methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate has a molecular weight of 347.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 84597767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).