N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide

C17H21F3N2O3 — CID 145388998

IUPACN-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCN(C(=O)[C@@H](O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C17H21F3N2O3/c1-11-3-5-13(6-4-11)21(2)15(24)12-7-9-22(10-8-12)16(25)14(23)17(18,19)20/h3-6,12,14,23H,7-10H2,1-2H3/t14-/m1/s1
InChIKeyOVOHRGLETGXWQC-CQSZACIVSA-N
MW358.36 g/mol
LogP2.12
Rot. Bonds3

About N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide

N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide (PubChem CID 145388998) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide
PubChem CID145388998
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC NameN-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCN(C(=O)[C@@H](O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C17H21F3N2O3/c1-11-3-5-13(6-4-11)21(2)15(24)12-7-9-22(10-8-12)16(25)14(23)17(18,19)20/h3-6,12,14,23H,7-10H2,1-2H3/t14-/m1/s1
InChIKeyOVOHRGLETGXWQC-CQSZACIVSA-N
XLogP2.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 60621992
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
3,3,3-trifluoro-2-hydroxy-1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one
CID 155262197
N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 52851039
(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 124582793
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
N,2-dimethyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 106739900
N-methyl-1,1-dioxo-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]thiane-4-carboxamide
CID 167302642
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 38008538
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 146380644

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide (CID 145388998) is N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide is Cc1ccc(N(C)C(=O)C2CCN(C(=O)[C@@H](O)C(F)(F)F)CC2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide?
The InChIKey is OVOHRGLETGXWQC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-11-3-5-13(6-4-11)21(2)15(24)12-7-9-22(10-8-12)16(25)14(23)17(18,19)20/h3-6,12,14,23H,7-10H2,1-2H3/t14-/m1/s1.
What are the key properties of N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide?
N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 145388998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).