methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate

C15H16F3NO3 — CID 25465302

IUPACmethyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO3/c1-22-14(21)12-4-2-3-9-19(12)13(20)10-5-7-11(8-6-10)15(16,17)18/h5-8,12H,2-4,9H2,1H3/t12-/m1/s1
InChIKeyWFAAKIYVLTULDT-GFCCVEGCSA-N
MW315.29 g/mol
LogP2.87
Rot. Bonds2

About methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate

methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate (PubChem CID 25465302) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
PubChem CID25465302
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Namemethyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO3/c1-22-14(21)12-4-2-3-9-19(12)13(20)10-5-7-11(8-6-10)15(16,17)18/h5-8,12H,2-4,9H2,1H3/t12-/m1/s1
InChIKeyWFAAKIYVLTULDT-GFCCVEGCSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
methyl (2S)-1-(4-nitrobenzoyl)piperidine-2-carboxylate
CID 2712348
(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 110285809
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627850
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate (CID 25465302) is methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate?
The InChIKey is WFAAKIYVLTULDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-22-14(21)12-4-2-3-9-19(12)13(20)10-5-7-11(8-6-10)15(16,17)18/h5-8,12H,2-4,9H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate?
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate has a molecular weight of 315.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 25465302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).