3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide

C14H17F3N2O — CID 62813870

IUPAC3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
SMILESO=C(CCC1CCCCN1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H17F3N2O/c15-11-7-10(8-12(16)14(11)17)19-13(20)5-4-9-3-1-2-6-18-9/h7-9,18H,1-6H2,(H,19,20)
InChIKeyFDUWJYKYKFVJFX-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.96
Rot. Bonds4

About 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide

3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide (PubChem CID 62813870) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
PubChem CID62813870
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
SMILESO=C(CCC1CCCCN1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H17F3N2O/c15-11-7-10(8-12(16)14(11)17)19-13(20)5-4-9-3-1-2-6-18-9/h7-9,18H,1-6H2,(H,19,20)
InChIKeyFDUWJYKYKFVJFX-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide 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

N-(3-fluoro-4-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212237
N-(4-bromo-2,6-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 65469168
N-(3-fluoro-5-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107335001
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652
N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
CID 62211364
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
3-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62211801
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide
CID 63794479

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide?
The IUPAC name of 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide (CID 62813870) is 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide?
The canonical SMILES for 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide is O=C(CCC1CCCCN1)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide?
The InChIKey is FDUWJYKYKFVJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-11-7-10(8-12(16)14(11)17)19-13(20)5-4-9-3-1-2-6-18-9/h7-9,18H,1-6H2,(H,19,20).
What are the key properties of 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide?
3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide has a molecular weight of 286.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 62813870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).