N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide

C25H28F3N3O3 — CID 118422568

IUPACN-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
SMILESO=C(NC1CC(c2cccc(C(F)(F)F)c2)CN(CC(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C25H28F3N3O3/c26-25(27,28)21-8-4-7-19(13-21)20-14-22(29-24(33)18-5-2-1-3-6-18)16-30(15-20)17-23(32)31-9-11-34-12-10-31/h1-8,13,20,22H,9-12,14-17H2,(H,29,33)
InChIKeyABXMHTKIMCVNFG-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.15
Rot. Bonds5

About N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide

N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide (PubChem CID 118422568) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
PubChem CID118422568
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC NameN-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
SMILESO=C(NC1CC(c2cccc(C(F)(F)F)c2)CN(CC(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C25H28F3N3O3/c26-25(27,28)21-8-4-7-19(13-21)20-14-22(29-24(33)18-5-2-1-3-6-18)16-30(15-20)17-23(32)31-9-11-34-12-10-31/h1-8,13,20,22H,9-12,14-17H2,(H,29,33)
InChIKeyABXMHTKIMCVNFG-UHFFFAOYSA-N
XLogP3.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 127163779
1-morpholin-4-yl-2-[3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255279
1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide
CID 66701330
3-[[3-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamoylamino]propanoic acid
CID 122013011
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291
ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate
CID 90879634
1-(azetidin-1-yl)-2-[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129471274
N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120671720
4-[[3-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamoylamino]butanoic acid
CID 122013012
1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
CID 178166229
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide
CID 16892603

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The IUPAC name of N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide (CID 118422568) is N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The canonical SMILES for N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide is O=C(NC1CC(c2cccc(C(F)(F)F)c2)CN(CC(=O)N2CCOCC2)C1)c1ccccc1.
What is the InChIKey of N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
The InChIKey is ABXMHTKIMCVNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c26-25(27,28)21-8-4-7-19(13-21)20-14-22(29-24(33)18-5-2-1-3-6-18)16-30(15-20)17-23(32)31-9-11-34-12-10-31/h1-8,13,20,22H,9-12,14-17H2,(H,29,33).
What are the key properties of N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide?
N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide has a molecular weight of 475.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 118422568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).