(3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

C20H19F3N2O2 — CID 134412121

IUPAC(3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESCc1ccc([C@H]2CCN(C)C(=O)[C@@H]2C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-11-3-5-12(6-4-11)13-9-10-25(2)20(27)16(13)19(26)24-15-8-7-14(21)17(22)18(15)23/h3-8,13,16H,9-10H2,1-2H3,(H,24,26)/t13-,16+/m1/s1
InChIKeyFFFCOXWCHHAFIW-CJNGLKHVSA-N
MW376.38 g/mol
LogP3.61
Rot. Bonds3

About (3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

(3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (PubChem CID 134412121) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is (3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
PubChem CID134412121
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name(3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESCc1ccc([C@H]2CCN(C)C(=O)[C@@H]2C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-11-3-5-12(6-4-11)13-9-10-25(2)20(27)16(13)19(26)24-15-8-7-14(21)17(22)18(15)23/h3-8,13,16H,9-10H2,1-2H3,(H,24,26)/t13-,16+/m1/s1
InChIKeyFFFCOXWCHHAFIW-CJNGLKHVSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.61
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)-4-(4-chlorophenyl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134416121
(3S,4S)-4-(4-cyanophenyl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134416112
(3S,4S)-1-methyl-2-oxo-4-[3-(trifluoromethoxy)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 134411737
(3S,4S)-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 134411933
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-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412202
(3R,4R)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412441
(3S,4R)-4-(6-tert-butylpyrimidin-4-yl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134412509
(3S)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 155055305
N-(2,3-difluorophenyl)-4-(4-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412548
(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
(3R,4R)-N-(2,3-difluorophenyl)-4-(3-methoxy-5-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412693

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (CID 134412121) is (3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is Cc1ccc([C@H]2CCN(C)C(=O)[C@@H]2C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of (3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The InChIKey is FFFCOXWCHHAFIW-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-11-3-5-12(6-4-11)13-9-10-25(2)20(27)16(13)19(26)24-15-8-7-14(21)17(22)18(15)23/h3-8,13,16H,9-10H2,1-2H3,(H,24,26)/t13-,16+/m1/s1.
What are the key properties of (3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
(3S,4S)-1-methyl-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.61, 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-4-(4-methylphenyl)-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 134412121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).