3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

C13H20F3N5O — CID 119058949

IUPAC3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
SMILESCN1CCC(CCC(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C13H20F3N5O/c1-21-6-4-9(5-7-21)2-3-11(22)17-8-10-18-12(20-19-10)13(14,15)16/h9H,2-8H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyQCTKPAIKQBGMBD-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.56
Rot. Bonds5

About 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide

3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (PubChem CID 119058949) has the molecular formula C13H20F3N5O and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
PubChem CID119058949
Molecular FormulaC13H20F3N5O
Molecular Weight319.33 g/mol
Exact Mass319.16
IUPAC Name3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
SMILESCN1CCC(CCC(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C13H20F3N5O/c1-21-6-4-9(5-7-21)2-3-11(22)17-8-10-18-12(20-19-10)13(14,15)16/h9H,2-8H2,1H3,(H,17,22)(H,18,19,20)
InChIKeyQCTKPAIKQBGMBD-UHFFFAOYSA-N
XLogP1.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide with MolForge

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Related Compounds

1-acetyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 43051664
cyclobutyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196457
cyclohexyl[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192128
n-[(3s,4s)-4-(3-Methyl-1h-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 86820534
cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 110194773
1-Cyclopentanecarbonyl-4-[(5-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 110196460
1-Cyclopropanecarbonyl-4-[(5-ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 124043116
cyclobutyl-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124043117
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexanecarboxamide
CID 50980478
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperidin-1-ylcyclohexanecarboxamide
CID 77087331
(2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide
CID 126430984
1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 126831327

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide (CID 119058949) is 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is CN1CCC(CCC(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
The InChIKey is QCTKPAIKQBGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5O/c1-21-6-4-9(5-7-21)2-3-11(22)17-8-10-18-12(20-19-10)13(14,15)16/h9H,2-8H2,1H3,(H,17,22)(H,18,19,20).
What are the key properties of 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide?
3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide has a molecular weight of 319.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide is sourced from PubChem (CID 119058949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).