(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C15H11F9N2O2 — CID 98423363

IUPAC(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C15H11F9N2O2/c16-13(17,18)6-3-7(14(19,20)21)5-8(4-6)25-11(27)9-1-2-10(15(22,23)24)26-12(9)28/h3-5,9-10H,1-2H2,(H,25,27)(H,26,28)/t9-,10-/m0/s1
InChIKeyAYXHHTXSFZZGFF-UWVGGRQHSA-N
MW422.25 g/mol
LogP4.12
Rot. Bonds2

About (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 98423363) has the molecular formula C15H11F9N2O2 and a molecular weight of 422.25 g/mol. Its IUPAC name is (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID98423363
Molecular FormulaC15H11F9N2O2
Molecular Weight422.25 g/mol
Exact Mass422.07
IUPAC Name(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O
InChIInChI=1S/C15H11F9N2O2/c16-13(17,18)6-3-7(14(19,20)21)5-8(4-6)25-11(27)9-1-2-10(15(22,23)24)26-12(9)28/h3-5,9-10H,1-2H2,(H,25,27)(H,26,28)/t9-,10-/m0/s1
InChIKeyAYXHHTXSFZZGFF-UWVGGRQHSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide 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

2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide
CID 43073026
N-[3,5-bis(trifluoromethyl)phenyl]-2,4-dioxobicyclo[3.2.1]octane-3-carboxamide
CID 11603558
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95332752
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823
1-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90511911
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603263
N-[3,5-bis(trifluoromethyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 5092512
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 116699700
N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903967
N-[3,5-bis(trifluoromethyl)phenyl]-1,4-dithiane-2-carboxamide
CID 86975714
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 98423363) is (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O.
What is the InChIKey of (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is AYXHHTXSFZZGFF-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H11F9N2O2/c16-13(17,18)6-3-7(14(19,20)21)5-8(4-6)25-11(27)9-1-2-10(15(22,23)24)26-12(9)28/h3-5,9-10H,1-2H2,(H,25,27)(H,26,28)/t9-,10-/m0/s1.
What are the key properties of (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 422.25 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 98423363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).