N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide

C19H26F3N3O3 — CID 167823753

IUPACN-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESCCN1CCCC(ONC(=O)N2CCOC(c3cccc(C(F)(F)F)c3)C2)C1
InChIInChI=1S/C19H26F3N3O3/c1-2-24-8-4-7-16(12-24)28-23-18(26)25-9-10-27-17(13-25)14-5-3-6-15(11-14)19(20,21)22/h3,5-6,11,16-17H,2,4,7-10,12-13H2,1H3,(H,23,26)
InChIKeyHTYQGGSMDJVEKU-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.20
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide

N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide (PubChem CID 167823753) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
PubChem CID167823753
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC NameN-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESCCN1CCCC(ONC(=O)N2CCOC(c3cccc(C(F)(F)F)c3)C2)C1
InChIInChI=1S/C19H26F3N3O3/c1-2-24-8-4-7-16(12-24)28-23-18(26)25-9-10-27-17(13-25)14-5-3-6-15(11-14)19(20,21)22/h3,5-6,11,16-17H,2,4,7-10,12-13H2,1H3,(H,23,26)
InChIKeyHTYQGGSMDJVEKU-UHFFFAOYSA-N
XLogP3.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 126784188
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
CID 120935931
1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405304
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 99814956
ethyl (3S)-4,4,4-trifluoro-3-[[(3R)-3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]butanoate
CID 124674520
1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 3053803
5-[[[3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 154861132
[(3R)-3-methoxypiperidin-1-yl]-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 97212252
(2R,3S)-N-ethyl-3-(methylsulfanylamino)-2-[[4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidine-1-carboxamide
CID 166990420

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide (CID 167823753) is N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide is CCN1CCCC(ONC(=O)N2CCOC(c3cccc(C(F)(F)F)c3)C2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is HTYQGGSMDJVEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-2-24-8-4-7-16(12-24)28-23-18(26)25-9-10-27-17(13-25)14-5-3-6-15(11-14)19(20,21)22/h3,5-6,11,16-17H,2,4,7-10,12-13H2,1H3,(H,23,26).
What are the key properties of N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 167823753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).