1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide

C15H17F3N2O3 — CID 146138327

IUPAC1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3/c1-20-12(6-3-7-13(20)21)14(22)19-10-4-2-5-11(8-10)23-9-15(16,17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,22)
InChIKeyBHBKVIBWAPURHR-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.58
Rot. Bonds4

About 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide

1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide (PubChem CID 146138327) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide
PubChem CID146138327
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide
SMILESCN1C(=O)CCCC1C(=O)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3/c1-20-12(6-3-7-13(20)21)14(22)19-10-4-2-5-11(8-10)23-9-15(16,17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,22)
InChIKeyBHBKVIBWAPURHR-UHFFFAOYSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 60579858
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
5-oxo-1-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55654529
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 154786469
N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133070
1-[[3-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 146134415
3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-1-carboxamide
CID 111443082
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
1-(2,2-dimethylpropanoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 55780067
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide (CID 146138327) is 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide is CN1C(=O)CCCC1C(=O)Nc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is BHBKVIBWAPURHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-20-12(6-3-7-13(20)21)14(22)19-10-4-2-5-11(8-10)23-9-15(16,17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,22).
What are the key properties of 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide?
1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 146138327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).