N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide

C15H17F3N2O3 — CID 146133070

IUPACN-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1NC(=O)C1CCCC(=O)N1C
InChIInChI=1S/C15H17F3N2O3/c1-20-11(4-3-5-13(20)21)14(22)19-10-7-6-9(15(16,17)18)8-12(10)23-2/h6-8,11H,3-5H2,1-2H3,(H,19,22)
InChIKeyWRLVSNMAPIBVEC-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.66
Rot. Bonds3

About N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide

N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 146133070) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide
PubChem CID146133070
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC NameN-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1NC(=O)C1CCCC(=O)N1C
InChIInChI=1S/C15H17F3N2O3/c1-20-11(4-3-5-13(20)21)14(22)19-10-7-6-9(15(16,17)18)8-12(10)23-2/h6-8,11H,3-5H2,1-2H3,(H,19,22)
InChIKeyWRLVSNMAPIBVEC-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide
CID 146138327
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
N-[5-(2-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146140217
1-ethyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 54007816
N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687350
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25332412
N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073602
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 166073765

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide (CID 146133070) is N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide is COc1cc(C(F)(F)F)ccc1NC(=O)C1CCCC(=O)N1C.
What is the InChIKey of N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is WRLVSNMAPIBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-20-11(4-3-5-13(20)21)14(22)19-10-7-6-9(15(16,17)18)8-12(10)23-2/h6-8,11H,3-5H2,1-2H3,(H,19,22).
What are the key properties of N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide?
N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146133070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).