1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one

C20H23F3N2O4 — CID 166405335

IUPAC1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCOC(c3cccc(OC(F)(F)F)c3)C2)CC1
InChIInChI=1S/C20H23F3N2O4/c1-2-18(26)24-8-6-14(7-9-24)19(27)25-10-11-28-17(13-25)15-4-3-5-16(12-15)29-20(21,22)23/h2-5,12,14,17H,1,6-11,13H2
InChIKeyDCASTRCGIVJQPP-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.91
Rot. Bonds4

About 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one

1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 166405335) has the molecular formula C20H23F3N2O4 and a molecular weight of 412.41 g/mol. Its IUPAC name is 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
PubChem CID166405335
Molecular FormulaC20H23F3N2O4
Molecular Weight412.41 g/mol
Exact Mass412.16
IUPAC Name1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCOC(c3cccc(OC(F)(F)F)c3)C2)CC1
InChIInChI=1S/C20H23F3N2O4/c1-2-18(26)24-8-6-14(7-9-24)19(27)25-10-11-28-17(13-25)15-4-3-5-16(12-15)29-20(21,22)23/h2-5,12,14,17H,1,6-11,13H2
InChIKeyDCASTRCGIVJQPP-UHFFFAOYSA-N
XLogP2.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405304
N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
CID 75391109
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308183
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
1-[4-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166412697
N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide
CID 172888533
phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 166411037
1-(2-phenyl-1,4-oxazepan-4-yl)prop-2-en-1-one
CID 126814843
1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110102575
1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166411061

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one (CID 166405335) is 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(C(=O)N2CCOC(c3cccc(OC(F)(F)F)c3)C2)CC1.
What is the InChIKey of 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is DCASTRCGIVJQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4/c1-2-18(26)24-8-6-14(7-9-24)19(27)25-10-11-28-17(13-25)15-4-3-5-16(12-15)29-20(21,22)23/h2-5,12,14,17H,1,6-11,13H2.
What are the key properties of 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one?
1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 412.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166405335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).