(2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide

C16H21F3N4O2 — CID 89109679

IUPAC(2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide
SMILESCN/N=C(\C(=O)NC)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H21F3N4O2/c1-20-15(24)14(22-21-2)23-9-7-13(8-10-23)25-12-5-3-11(4-6-12)16(17,18)19/h3-6,13,21H,7-10H2,1-2H3,(H,20,24)/b22-14+
InChIKeyXPJPOSXHGKPIHN-HYARGMPZSA-N
MW358.36 g/mol
LogP1.83
Rot. Bonds3

About (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide

(2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide (PubChem CID 89109679) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name(2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide
PubChem CID89109679
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name(2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide
SMILESCN/N=C(\C(=O)NC)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H21F3N4O2/c1-20-15(24)14(22-21-2)23-9-7-13(8-10-23)25-12-5-3-11(4-6-12)16(17,18)19/h3-6,13,21H,7-10H2,1-2H3,(H,20,24)/b22-14+
InChIKeyXPJPOSXHGKPIHN-HYARGMPZSA-N
XLogP1.83
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide 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

(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
[4-(3-hydroxyoxetan-3-yl)-3,5-dimethylphenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533320
(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
CID 175134415
1-(1H-indol-3-yl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethane-1,2-dione
CID 21428735
4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 89332293
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
1-(1-methylpiperidin-4-yl)sulfonyl-4-[4-(trifluoromethyl)phenoxy]piperidine
CID 59989393
N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028071
(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 122421163
[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid
CID 67529467
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710373

Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide?
The IUPAC name of (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide (CID 89109679) is (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide.
What is the SMILES notation for (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide?
The canonical SMILES for (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide is CN/N=C(\C(=O)NC)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide?
The InChIKey is XPJPOSXHGKPIHN-HYARGMPZSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-20-15(24)14(22-21-2)23-9-7-13(8-10-23)25-12-5-3-11(4-6-12)16(17,18)19/h3-6,13,21H,7-10H2,1-2H3,(H,20,24)/b22-14+.
What are the key properties of (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide?
(2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide has a molecular weight of 358.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-(methylhydrazinylidene)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]acetamide is sourced from PubChem (CID 89109679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).