(3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

C20H16F6N2O2 — CID 134411933

IUPAC(3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESCN1CC[C@H](c2ccccc2C(F)(F)F)[C@@H](C(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C20H16F6N2O2/c1-28-9-8-11(10-4-2-3-5-12(10)20(24,25)26)15(19(28)30)18(29)27-14-7-6-13(21)16(22)17(14)23/h2-7,11,15H,8-9H2,1H3,(H,27,29)/t11-,15+/m1/s1
InChIKeyRPIWSAMHGDQZLC-ABAIWWIYSA-N
MW430.35 g/mol
LogP4.32
Rot. Bonds3

About (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

(3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (PubChem CID 134411933) has the molecular formula C20H16F6N2O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
PubChem CID134411933
Molecular FormulaC20H16F6N2O2
Molecular Weight430.35 g/mol
Exact Mass430.11
IUPAC Name(3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESCN1CC[C@H](c2ccccc2C(F)(F)F)[C@@H](C(=O)Nc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C20H16F6N2O2/c1-28-9-8-11(10-4-2-3-5-12(10)20(24,25)26)15(19(28)30)18(29)27-14-7-6-13(21)16(22)17(14)23/h2-7,11,15H,8-9H2,1H3,(H,27,29)/t11-,15+/m1/s1
InChIKeyRPIWSAMHGDQZLC-ABAIWWIYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-1-methyl-2-oxo-4-[3-(trifluoromethoxy)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 134411737
(3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 134412121
(3S,4S)-4-(4-chlorophenyl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134416121
1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 142445144
(3S,4S)-4-(4-cyanophenyl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134416112
(3S,4S)-4-(3-fluorophenyl)-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134416094
(3S,4R)-4-(6-tert-butylpyrimidin-4-yl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134412509
4-[3-(difluoromethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-N-(2-fluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;(3S)-N-(2,3-difluorophenyl)-4-(4-fluorophenyl)-1-methyl-2-oxopiperidine-3-carboxamide;(3R)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 157240963
(3S,4S)-N-(2,3-difluorophenyl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412113
(3S,4S)-1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-2-sulfanylidene-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 155024424
(3S,4S)-N-(2-cyclopropylphenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134415963
(3S,4S)-4-(6,6-difluoro-5,7-dihydro-4H-1-benzothiophen-3-yl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134412230

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (CID 134411933) is (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is CN1CC[C@H](c2ccccc2C(F)(F)F)[C@@H](C(=O)Nc2ccc(F)c(F)c2F)C1=O.
What is the InChIKey of (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The InChIKey is RPIWSAMHGDQZLC-ABAIWWIYSA-N. The full InChI is InChI=1S/C20H16F6N2O2/c1-28-9-8-11(10-4-2-3-5-12(10)20(24,25)26)15(19(28)30)18(29)27-14-7-6-13(21)16(22)17(14)23/h2-7,11,15H,8-9H2,1H3,(H,27,29)/t11-,15+/m1/s1.
What are the key properties of (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
(3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide has a molecular weight of 430.35 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 134411933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).