N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride

C18H23ClF3N5O2 — CID 120643455

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C18H22F3N5O2.ClH/c1-11(28-14-6-4-3-5-13(14)18(19,20)21)16(27)24-17-23-15(25-26(17)2)12-7-9-22-10-8-12;/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24,25,27);1H
InChIKeyRQPXYEUALGSSDK-UHFFFAOYSA-N
MW433.86 g/mol
LogP3.13
Rot. Bonds5

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride (PubChem CID 120643455) has the molecular formula C18H23ClF3N5O2 and a molecular weight of 433.86 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
PubChem CID120643455
Molecular FormulaC18H23ClF3N5O2
Molecular Weight433.86 g/mol
Exact Mass433.15
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
SMILESCC(Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C18H22F3N5O2.ClH/c1-11(28-14-6-4-3-5-13(14)18(19,20)21)16(27)24-17-23-15(25-26(17)2)12-7-9-22-10-8-12;/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24,25,27);1H
InChIKeyRQPXYEUALGSSDK-UHFFFAOYSA-N
XLogP3.13
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.86
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644723
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 120644245
(2S)-N-(2,5-dimethylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95284436
2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120641815
2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120643744
2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
CID 120642009
4-chloro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 120642156
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 120644020
2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644350
(2R)-N-(4-cyclopropyl-1,3-thiazol-5-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 97248963
(2S)-N-(1-methylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95328097
3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642069

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride (CID 120643455) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride is CC(Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(C2CCNCC2)nn1C.Cl.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The InChIKey is RQPXYEUALGSSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O2.ClH/c1-11(28-14-6-4-3-5-13(14)18(19,20)21)16(27)24-17-23-15(25-26(17)2)12-7-9-22-10-8-12;/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24,25,27);1H.
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride has a molecular weight of 433.86 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride is sourced from PubChem (CID 120643455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).