(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid

C14H14F3NO4 — CID 120537427

IUPAC(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H14F3NO4/c15-14(16,17)22-10-5-3-4-9(8-10)12(19)18-7-2-1-6-11(18)13(20)21/h3-5,8,11H,1-2,6-7H2,(H,20,21)/t11-/m1/s1
InChIKeyKHXAEMTWTWUVPY-LLVKDONJSA-N
MW317.26 g/mol
LogP2.66
Rot. Bonds3

About (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid

(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid (PubChem CID 120537427) has the molecular formula C14H14F3NO4 and a molecular weight of 317.26 g/mol. Its IUPAC name is (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
PubChem CID120537427
Molecular FormulaC14H14F3NO4
Molecular Weight317.26 g/mol
Exact Mass317.09
IUPAC Name(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H14F3NO4/c15-14(16,17)22-10-5-3-4-9(8-10)12(19)18-7-2-1-6-11(18)13(20)21/h3-5,8,11H,1-2,6-7H2,(H,20,21)/t11-/m1/s1
InChIKeyKHXAEMTWTWUVPY-LLVKDONJSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
4-methoxy-1-[3-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 120534458
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
CID 134039327
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728
1-(3-pyrrol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 119164521
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid (CID 120537427) is (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid?
The InChIKey is KHXAEMTWTWUVPY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14F3NO4/c15-14(16,17)22-10-5-3-4-9(8-10)12(19)18-7-2-1-6-11(18)13(20)21/h3-5,8,11H,1-2,6-7H2,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid?
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid has a molecular weight of 317.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120537427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).