N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide

C16H19F3N4O3 — CID 162609210

IUPACN-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide
SMILESC=N/C=C\N(N)C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N4O3/c1-21-8-11-23(20)15(24)22-9-6-13(7-10-22)25-12-2-4-14(5-3-12)26-16(17,18)19/h2-5,8,11,13H,1,6-7,9-10,20H2/b11-8-
InChIKeyHPKYZLQLAXTPRN-FLIBITNWSA-N
MW372.35 g/mol
LogP2.90
Rot. Bonds5

About N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide

N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide (PubChem CID 162609210) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide.

Molecular Properties

Compound NameN-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide
PubChem CID162609210
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC NameN-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide
SMILESC=N/C=C\N(N)C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N4O3/c1-21-8-11-23(20)15(24)22-9-6-13(7-10-22)25-12-2-4-14(5-3-12)26-16(17,18)19/h2-5,8,11,13H,1,6-7,9-10,20H2/b11-8-
InChIKeyHPKYZLQLAXTPRN-FLIBITNWSA-N
XLogP2.90
TPSA80.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid
CID 67529467
ethyl 4-methylsulfonyloxypiperidine-1-carboxylate;ethyl 4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carboxylate
CID 87554936
triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 167314568
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 144986405
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
CID 142009576
N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 175967617
4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 89332293

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide?
The IUPAC name of N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide (CID 162609210) is N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide.
What is the SMILES notation for N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide?
The canonical SMILES for N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide is C=N/C=C\N(N)C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide?
The InChIKey is HPKYZLQLAXTPRN-FLIBITNWSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c1-21-8-11-23(20)15(24)22-9-6-13(7-10-22)25-12-2-4-14(5-3-12)26-16(17,18)19/h2-5,8,11,13H,1,6-7,9-10,20H2/b11-8-.
What are the key properties of N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide?
N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide has a molecular weight of 372.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide is sourced from PubChem (CID 162609210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).