3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C17H24ClF3N4O2 — CID 120578476

IUPAC3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C17H23F3N4O2.ClH/c1-11-13(5-6-14(23-11)17(18,19)20)16(26)24-9-3-2-4-12(24)10-22-15(25)7-8-21;/h5-6,12H,2-4,7-10,21H2,1H3,(H,22,25);1H
InChIKeyMFNCZVXZDWMBEC-UHFFFAOYSA-N
MW408.85 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578476) has the molecular formula C17H24ClF3N4O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578476
Molecular FormulaC17H24ClF3N4O2
Molecular Weight408.85 g/mol
Exact Mass408.15
IUPAC Name3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C17H23F3N4O2.ClH/c1-11-13(5-6-14(23-11)17(18,19)20)16(26)24-9-3-2-4-12(24)10-22-15(25)7-8-21;/h5-6,12H,2-4,7-10,21H2,1H3,(H,22,25);1H
InChIKeyMFNCZVXZDWMBEC-UHFFFAOYSA-N
XLogP2.29
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580258
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-(3-bromo-2-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579999
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137791
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide
CID 120580225
3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578660
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578476) is 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1CNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is MFNCZVXZDWMBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2.ClH/c1-11-13(5-6-14(23-11)17(18,19)20)16(26)24-9-3-2-4-12(24)10-22-15(25)7-8-21;/h5-6,12H,2-4,7-10,21H2,1H3,(H,22,25);1H.
What are the key properties of 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 408.85 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).