2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide

C17H22F3N3O2 — CID 102561770

IUPAC2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide
SMILESCC(C)/C(N)=N/OC1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C17H22F3N3O2/c1-11(2)15(21)22-25-14-7-4-8-23(16(14)24)10-12-5-3-6-13(9-12)17(18,19)20/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H2,21,22)
InChIKeyQFTKQDMLVLFMOZ-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.14
Rot. Bonds5

About 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide

2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide (PubChem CID 102561770) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide
PubChem CID102561770
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide
SMILESCC(C)/C(N)=N/OC1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C17H22F3N3O2/c1-11(2)15(21)22-25-14-7-4-8-23(16(14)24)10-12-5-3-6-13(9-12)17(18,19)20/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H2,21,22)
InChIKeyQFTKQDMLVLFMOZ-UHFFFAOYSA-N
XLogP3.14
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide 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

(3S)-3-[(2S)-1-hydroxypropan-2-yl]sulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 97336760
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
2-bromo-2,2-difluoro-N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]acetamide
CID 56643370
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 64881381
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 65362122
3-[[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]carbamoylamino]propanoic acid
CID 122009220
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
[3-(trifluoromethyl)phenyl]methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55324281
3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 146147993
N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]benzo[b][1]benzazepine-11-carboxamide
CID 56643368
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 176730709
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide?
The IUPAC name of 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide (CID 102561770) is 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide.
What is the SMILES notation for 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide?
The canonical SMILES for 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide is CC(C)/C(N)=N/OC1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide?
The InChIKey is QFTKQDMLVLFMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-11(2)15(21)22-25-14-7-4-8-23(16(14)24)10-12-5-3-6-13(9-12)17(18,19)20/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H2,21,22).
What are the key properties of 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide?
2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide has a molecular weight of 357.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]oxypropanimidamide is sourced from PubChem (CID 102561770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).