N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide

C27H27ClF3N3O2 — CID 137423543

IUPACN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C27H27ClF3N3O2/c28-21-10-8-19(9-11-21)25(23-6-3-4-14-32-23)33-26(35)20-12-15-34(16-13-20)17-18-36-24-7-2-1-5-22(24)27(29,30)31/h1-11,14,20,25H,12-13,15-18H2,(H,33,35)
InChIKeyDEILXCRBROIOGW-UHFFFAOYSA-N
MW517.98 g/mol
LogP5.75
Rot. Bonds8

About N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide

N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide (PubChem CID 137423543) has the molecular formula C27H27ClF3N3O2 and a molecular weight of 517.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
PubChem CID137423543
Molecular FormulaC27H27ClF3N3O2
Molecular Weight517.98 g/mol
Exact Mass517.17
IUPAC NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C27H27ClF3N3O2/c28-21-10-8-19(9-11-21)25(23-6-3-4-14-32-23)33-26(35)20-12-15-34(16-13-20)17-18-36-24-7-2-1-5-22(24)27(29,30)31/h1-11,14,20,25H,12-13,15-18H2,(H,33,35)
InChIKeyDEILXCRBROIOGW-UHFFFAOYSA-N
XLogP5.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.98
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide (CID 137423543) is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide is O=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide?
The InChIKey is DEILXCRBROIOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClF3N3O2/c28-21-10-8-19(9-11-21)25(23-6-3-4-14-32-23)33-26(35)20-12-15-34(16-13-20)17-18-36-24-7-2-1-5-22(24)27(29,30)31/h1-11,14,20,25H,12-13,15-18H2,(H,33,35).
What are the key properties of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide has a molecular weight of 517.98 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 137423543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).