2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C13H19F3N2O — CID 114489853

IUPAC2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CC1CCNCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)11-3-7-18(8-4-11)12(19)9-10-1-5-17-6-2-10/h3,10,17H,1-2,4-9H2
InChIKeyXIYRYTBRFFIBRV-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.10
Rot. Bonds2

About 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114489853) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114489853
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CC1CCNCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)11-3-7-18(8-4-11)12(19)9-10-1-5-17-6-2-10/h3,10,17H,1-2,4-9H2
InChIKeyXIYRYTBRFFIBRV-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone 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-{1-[(2E)-Hex-2-EN-1-YL]piperidin-4-YL}-N-methylacetamide
CID 56701855
2,2,2-trifluoro-N-[(E)-2-methylidene-4-piperidin-4-ylpent-3-enyl]acetamide
CID 88940834
2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide
CID 123222641
6,8-difluoro-3,4,4a,5-tetrahydro-2H-isoquinolin-1-one
CID 123314634
7-(trifluoromethyl)-3,4,4a,5-tetrahydro-2H-isoquinolin-1-one
CID 163853493
3-[[(E)-2,2-difluoropent-3-enyl]amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 171492766
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 71866672
2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983936
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 86778017
(3S)-1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96086302
(3R)-1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96086303
2-[(1R)-cyclopent-2-en-1-yl]-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]acetamide
CID 99823460

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114489853) is 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is O=C(CC1CCNCC1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is XIYRYTBRFFIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)11-3-7-18(8-4-11)12(19)9-10-1-5-17-6-2-10/h3,10,17H,1-2,4-9H2.
What are the key properties of 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 276.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114489853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).