N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide

C24H26F3N3O3 — CID 66701371

IUPACN-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
SMILESO=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C24H26F3N3O3/c25-24(26,27)20-8-6-17(7-9-20)19-14-21(28-22(31)18-4-2-1-3-5-18)16-30(15-19)23(32)29-10-12-33-13-11-29/h1-9,19,21H,10-16H2,(H,28,31)
InChIKeyGZFVQGFIGHCQRY-UHFFFAOYSA-N
MW461.48 g/mol
LogP3.75
Rot. Bonds3

About N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide

N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide (PubChem CID 66701371) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
PubChem CID66701371
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC NameN-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
SMILESO=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C24H26F3N3O3/c25-24(26,27)20-8-6-17(7-9-20)19-14-21(28-22(31)18-4-2-1-3-5-18)16-30(15-19)23(32)29-10-12-33-13-11-29/h1-9,19,21H,10-16H2,(H,28,31)
InChIKeyGZFVQGFIGHCQRY-UHFFFAOYSA-N
XLogP3.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide 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-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The IUPAC name of N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide (CID 66701371) is N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The canonical SMILES for N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide is O=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1)c1ccccc1.
What is the InChIKey of N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The InChIKey is GZFVQGFIGHCQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c25-24(26,27)20-8-6-17(7-9-20)19-14-21(28-22(31)18-4-2-1-3-5-18)16-30(15-19)23(32)29-10-12-33-13-11-29/h1-9,19,21H,10-16H2,(H,28,31).
What are the key properties of N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide has a molecular weight of 461.48 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 66701371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).