3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C17H22F3N3O2 — CID 45243123

IUPAC3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)14-5-1-2-6-15(14)21-16(24)23-7-3-4-13(12-23)22-8-10-25-11-9-22/h1-2,5-6,13H,3-4,7-12H2,(H,21,24)
InChIKeyVJUHIMBSSZSBTG-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.03
Rot. Bonds2

About 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 45243123) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID45243123
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)14-5-1-2-6-15(14)21-16(24)23-7-3-4-13(12-23)22-8-10-25-11-9-22/h1-2,5-6,13H,3-4,7-12H2,(H,21,24)
InChIKeyVJUHIMBSSZSBTG-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-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 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 45243123) is 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCCC(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is VJUHIMBSSZSBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)14-5-1-2-6-15(14)21-16(24)23-7-3-4-13(12-23)22-8-10-25-11-9-22/h1-2,5-6,13H,3-4,7-12H2,(H,21,24).
What are the key properties of 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 45243123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).