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

C22H22F3NO3 — CID 22240638

IUPAC4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H22F3NO3/c23-22(24,25)18-9-6-16(7-10-18)8-11-19(27)26-14-12-21(13-15-26,20(28)29)17-4-2-1-3-5-17/h1-7,9-10H,8,11-15H2,(H,28,29)
InChIKeyHAEMTRVAMRGFMB-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.28
Rot. Bonds5

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

4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid (PubChem CID 22240638) has the molecular formula C22H22F3NO3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid
PubChem CID22240638
Molecular FormulaC22H22F3NO3
Molecular Weight405.42 g/mol
Exact Mass405.16
IUPAC Name4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H22F3NO3/c23-22(24,25)18-9-6-16(7-10-18)8-11-19(27)26-14-12-21(13-15-26,20(28)29)17-4-2-1-3-5-17/h1-7,9-10H,8,11-15H2,(H,28,29)
InChIKeyHAEMTRVAMRGFMB-UHFFFAOYSA-N
XLogP4.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid (CID 22240638) is 4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid is O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid?
The InChIKey is HAEMTRVAMRGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO3/c23-22(24,25)18-9-6-16(7-10-18)8-11-19(27)26-14-12-21(13-15-26,20(28)29)17-4-2-1-3-5-17/h1-7,9-10H,8,11-15H2,(H,28,29).
What are the key properties of 4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid?
4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid has a molecular weight of 405.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 22240638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).