2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide

C17H23F3N2O — CID 122159096

IUPAC2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCCN(CC(F)(F)F)C2)c1C
InChIInChI=1S/C17H23F3N2O/c1-12-5-3-7-15(13(12)2)16(23)21-9-14-6-4-8-22(10-14)11-17(18,19)20/h3,5,7,14H,4,6,8-11H2,1-2H3,(H,21,23)
InChIKeyWUXHPSKBSFJMNZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.31
Rot. Bonds4

About 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide

2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide (PubChem CID 122159096) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide
PubChem CID122159096
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCCN(CC(F)(F)F)C2)c1C
InChIInChI=1S/C17H23F3N2O/c1-12-5-3-7-15(13(12)2)16(23)21-9-14-6-4-8-22(10-14)11-17(18,19)20/h3,5,7,14H,4,6,8-11H2,1-2H3,(H,21,23)
InChIKeyWUXHPSKBSFJMNZ-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 107358771
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 139011822
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 24790774
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2,3-dimethylbenzamide
CID 94820684
4-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 81229419
N-[[1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dimethylbenzamide
CID 56753509
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 66484887

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide (CID 122159096) is 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide is Cc1cccc(C(=O)NCC2CCCN(CC(F)(F)F)C2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is WUXHPSKBSFJMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-12-5-3-7-15(13(12)2)16(23)21-9-14-6-4-8-22(10-14)11-17(18,19)20/h3,5,7,14H,4,6,8-11H2,1-2H3,(H,21,23).
What are the key properties of 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide?
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 122159096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).