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

C16H18F3NO3 — CID 124576632

IUPAC(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)13-6-3-11(4-7-13)5-8-14(21)20-9-1-2-12(10-20)15(22)23/h3-4,6-7,12H,1-2,5,8-10H2,(H,22,23)/t12-/m1/s1
InChIKeyFIQFHCPMGACAIN-GFCCVEGCSA-N
MW329.32 g/mol
LogP2.96
Rot. Bonds4

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

(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid (PubChem CID 124576632) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is (3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
PubChem CID124576632
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H18F3NO3/c17-16(18,19)13-6-3-11(4-7-13)5-8-14(21)20-9-1-2-12(10-20)15(22)23/h3-4,6-7,12H,1-2,5,8-10H2,(H,22,23)/t12-/m1/s1
InChIKeyFIQFHCPMGACAIN-GFCCVEGCSA-N
XLogP2.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 124699963
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
(3S)-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173608
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576550
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853
1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119355979
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperidine-3-carboxylic acid
CID 126786883

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid (CID 124576632) is (3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid?
The InChIKey is FIQFHCPMGACAIN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18F3NO3/c17-16(18,19)13-6-3-11(4-7-13)5-8-14(21)20-9-1-2-12(10-20)15(22)23/h3-4,6-7,12H,1-2,5,8-10H2,(H,22,23)/t12-/m1/s1.
What are the key properties of (3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid has a molecular weight of 329.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124576632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).