2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide

C14H17F3N2O — CID 79749359

IUPAC2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-11-4-3-10(12(16)13(11)17)14(20)19-7-5-9-2-1-6-18-8-9/h3-4,9,18H,1-2,5-8H2,(H,19,20)
InChIKeySSPNUJIFICYNSE-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.22
Rot. Bonds4

About 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide

2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 79749359) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID79749359
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O/c15-11-4-3-10(12(16)13(11)17)14(20)19-7-5-9-2-1-6-18-8-9/h3-4,9,18H,1-2,5-8H2,(H,19,20)
InChIKeySSPNUJIFICYNSE-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
CID 103806776
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
methyl 2,3-difluoro-4-(2-piperidin-3-ylethylamino)benzoate
CID 79835276
2,3,4-trifluoro-N-(2-piperidin-2-ylethyl)benzamide
CID 79749077
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide (CID 79749359) is 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is SSPNUJIFICYNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-11-4-3-10(12(16)13(11)17)14(20)19-7-5-9-2-1-6-18-8-9/h3-4,9,18H,1-2,5-8H2,(H,19,20).
What are the key properties of 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide?
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 79749359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).