5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide

C17H23F3N2O3 — CID 15055940

IUPAC5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
SMILESCCOc1ccc(OCC(F)(F)F)c(C(=O)NCC2CCCCN2)c1
InChIInChI=1S/C17H23F3N2O3/c1-2-24-13-6-7-15(25-11-17(18,19)20)14(9-13)16(23)22-10-12-5-3-4-8-21-12/h6-7,9,12,21H,2-5,8,10-11H2,1H3,(H,22,23)
InChIKeyDOJZDQRWFYKNPQ-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.90
Rot. Bonds7

About 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide

5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 15055940) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
PubChem CID15055940
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
SMILESCCOc1ccc(OCC(F)(F)F)c(C(=O)NCC2CCCCN2)c1
InChIInChI=1S/C17H23F3N2O3/c1-2-24-13-6-7-15(25-11-17(18,19)20)14(9-13)16(23)22-10-12-5-3-4-8-21-12/h6-7,9,12,21H,2-5,8,10-11H2,1H3,(H,22,23)
InChIKeyDOJZDQRWFYKNPQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrobromide
CID 11705938
acetic acid;N-[[(2R)-piperidin-2-yl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 73416119
5-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055932
[3-(piperidin-2-ylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenyl] acetate
CID 70515248
5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide
CID 40582614
5-[3-(piperidin-2-ylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenoxy]pentanoic acid;hydrochloride
CID 23035281
2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide
CID 15055945
N-(piperidin-2-ylmethyl)-2-(2-piperidin-1-yloxyethoxy)-5-(2,2,2-trifluoroethoxy)benzamide
CID 70374449
2-(3-phenylpropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 23035302
[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]-(piperidin-2-ylmethyl)azanium
CID 3355
N-(1-piperidin-2-ylethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 21447146
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035342

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide (CID 15055940) is 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide is CCOc1ccc(OCC(F)(F)F)c(C(=O)NCC2CCCCN2)c1.
What is the InChIKey of 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is DOJZDQRWFYKNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-2-24-13-6-7-15(25-11-17(18,19)20)14(9-13)16(23)22-10-12-5-3-4-8-21-12/h6-7,9,12,21H,2-5,8,10-11H2,1H3,(H,22,23).
What are the key properties of 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide?
5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 360.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 15055940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).