(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid

C15H16F3NO3 — CID 124699963

IUPAC(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)12-5-3-10(4-6-12)8-13(20)19-7-1-2-11(9-19)14(21)22/h3-6,11H,1-2,7-9H2,(H,21,22)/t11-/m1/s1
InChIKeyWUBWTJWHHHHIIV-LLVKDONJSA-N
MW315.29 g/mol
LogP2.57
Rot. Bonds3

About (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid (PubChem CID 124699963) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
PubChem CID124699963
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)12-5-3-10(4-6-12)8-13(20)19-7-1-2-11(9-19)14(21)22/h3-6,11H,1-2,7-9H2,(H,21,22)/t11-/m1/s1
InChIKeyWUBWTJWHHHHIIV-LLVKDONJSA-N
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 124576632
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62048675
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
(3S)-1-[2-(3-bromo-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 97323823
(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
1-[2-(4-aminophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030537
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114801487
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
1-[[4-(1,1-difluoroethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015342
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 43355789

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid (CID 124699963) is (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid?
The InChIKey is WUBWTJWHHHHIIV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16F3NO3/c16-15(17,18)12-5-3-10(4-6-12)8-13(20)19-7-1-2-11(9-19)14(21)22/h3-6,11H,1-2,7-9H2,(H,21,22)/t11-/m1/s1.
What are the key properties of (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid has a molecular weight of 315.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124699963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).