PRFRPKJECDWOAR-UHFFFAOYSA-N

Name: PRFRPKJECDWOAR-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₂F₃NO₄ — CID 11589850

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-methyl-5-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]benzoic acid

SMILESCc1ccc(C2CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)cc1C(=O)O

InChIInChI=1S/C22H22F3NO4/c1-14-4-7-16(12-19(14)21(28)29)17-3-2-10-26(13-17)20(27)11-15-5-8-18(9-6-15)30-22(23,24)25/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,28,29)

InChIKeyPRFRPKJECDWOAR-UHFFFAOYSA-N

MW421.42 g/mol

LogP4.54

Rot. Bonds5

About PRFRPKJECDWOAR-UHFFFAOYSA-N

PRFRPKJECDWOAR-UHFFFAOYSA-N (PubChem CID 11589850) has the molecular formula C₂₂H₂₂F₃NO₄ and a molecular weight of 421.42 g/mol. Its IUPAC name is 2-methyl-5-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name	PRFRPKJECDWOAR-UHFFFAOYSA-N
PubChem CID	11589850
Molecular Formula	C₂₂H₂₂F₃NO₄
Molecular Weight	421.42 g/mol
Exact Mass	421.15
IUPAC Name	2-methyl-5-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]benzoic acid
SMILES	Cc1ccc(C2CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)cc1C(=O)O
InChI	InChI=1S/C22H22F3NO4/c1-14-4-7-16(12-19(14)21(28)29)17-3-2-10-26(13-17)20(27)11-15-5-8-18(9-6-15)30-22(23,24)25/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,28,29)
InChIKey	PRFRPKJECDWOAR-UHFFFAOYSA-N
XLogP	4.54
TPSA	66.84 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.42
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of PRFRPKJECDWOAR-UHFFFAOYSA-N?

The IUPAC name of PRFRPKJECDWOAR-UHFFFAOYSA-N (CID 11589850) is 2-methyl-5-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]benzoic acid.

What is the SMILES notation for PRFRPKJECDWOAR-UHFFFAOYSA-N?

The canonical SMILES for PRFRPKJECDWOAR-UHFFFAOYSA-N is Cc1ccc(C2CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)C2)cc1C(=O)O.

What is the InChIKey of PRFRPKJECDWOAR-UHFFFAOYSA-N?

The InChIKey is PRFRPKJECDWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO4/c1-14-4-7-16(12-19(14)21(28)29)17-3-2-10-26(13-17)20(27)11-15-5-8-18(9-6-15)30-22(23,24)25/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,28,29).

What are the key properties of PRFRPKJECDWOAR-UHFFFAOYSA-N?

PRFRPKJECDWOAR-UHFFFAOYSA-N has a molecular weight of 421.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for PRFRPKJECDWOAR-UHFFFAOYSA-N is sourced from PubChem (CID 11589850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 11589850 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.