3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide

C15H19F3N2O — CID 110865151

IUPAC3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCN1CCCCC1CCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H19F3N2O/c1-20-9-3-2-4-10(20)5-8-13(21)19-12-7-6-11(16)14(17)15(12)18/h6-7,10H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyOCBQGKSTIGSYKD-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.31
Rot. Bonds4

About 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide

3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 110865151) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID110865151
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCN1CCCCC1CCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H19F3N2O/c1-20-9-3-2-4-10(20)5-8-13(21)19-12-7-6-11(16)14(17)15(12)18/h6-7,10H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyOCBQGKSTIGSYKD-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2678790
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclopentanecarboxamide
CID 2534365
CID 43558538
CID 43558538
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 11931084
N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
CID 110855386
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2654454
5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109288675
ethyl 4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]piperazine-1-carboxylate
CID 109029204
3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109041851

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide (CID 110865151) is 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide is CN1CCCCC1CCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is OCBQGKSTIGSYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20-9-3-2-4-10(20)5-8-13(21)19-12-7-6-11(16)14(17)15(12)18/h6-7,10H,2-5,8-9H2,1H3,(H,19,21).
What are the key properties of 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide?
3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 300.32 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 3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 110865151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).