N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide

C19H18F6N4O — CID 55718313

IUPACN'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C19H18F6N4O/c20-18(21,22)13-6-1-2-8-15(13)27-28-17(30)12-5-4-10-29(11-12)16-14(19(23,24)25)7-3-9-26-16/h1-3,6-9,12,27H,4-5,10-11H2,(H,28,30)
InChIKeyXSNUUCWEZSJMQT-UHFFFAOYSA-N
MW432.37 g/mol
LogP4.48
Rot. Bonds4

About N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide

N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide (PubChem CID 55718313) has the molecular formula C19H18F6N4O and a molecular weight of 432.37 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
PubChem CID55718313
Molecular FormulaC19H18F6N4O
Molecular Weight432.37 g/mol
Exact Mass432.14
IUPAC NameN'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C19H18F6N4O/c20-18(21,22)13-6-1-2-8-15(13)27-28-17(30)12-5-4-10-29(11-12)16-14(19(23,24)25)7-3-9-26-16/h1-3,6-9,12,27H,4-5,10-11H2,(H,28,30)
InChIKeyXSNUUCWEZSJMQT-UHFFFAOYSA-N
XLogP4.48
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 51955026
(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 40599471
N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
N'-[2-(2-ethoxyphenoxy)acetyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55712443
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712374
N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712610
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324
N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 119036191
methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55794757
N-[2-(N-methylanilino)ethyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55713142

Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide?
The IUPAC name of N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide (CID 55718313) is N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide is O=C(NNc1ccccc1C(F)(F)F)C1CCCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide?
The InChIKey is XSNUUCWEZSJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N4O/c20-18(21,22)13-6-1-2-8-15(13)27-28-17(30)12-5-4-10-29(11-12)16-14(19(23,24)25)7-3-9-26-16/h1-3,6-9,12,27H,4-5,10-11H2,(H,28,30).
What are the key properties of N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide?
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide has a molecular weight of 432.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 55718313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).