[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

C17H19F3N4O3 — CID 91905096

IUPAC[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCOCc1nncn1C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C17H19F3N4O3/c1-26-10-15-22-21-11-24(15)12-6-8-23(9-7-12)16(25)13-4-2-3-5-14(13)27-17(18,19)20/h2-5,11-12H,6-10H2,1H3
InChIKeyCWRDXLPWFISIAV-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.80
Rot. Bonds5

About [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 91905096) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID91905096
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCOCc1nncn1C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C17H19F3N4O3/c1-26-10-15-22-21-11-24(15)12-6-8-23(9-7-12)16(25)13-4-2-3-5-14(13)27-17(18,19)20/h2-5,11-12H,6-10H2,1H3
InChIKeyCWRDXLPWFISIAV-UHFFFAOYSA-N
XLogP2.80
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone with MolForge

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Related Compounds

US10308645, Example 36
CID 121314578
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoro-2-methoxybenzamide
CID 45824154
2-[(2-methylprop-2-en-1-yl)oxy]-N-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 46995930
4-(4-Methyl-4H-1,2,4-triazol-3-YL)-1-[3-(trifluoromethoxy)benzoyl]piperidine
CID 53192500
(3-fluoro-4-methoxyphenyl)[3-(4-methyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192719
[3-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidino](3-fluoro-4-methoxyphenyl)methanone
CID 53192747
(3-fluoro-4-methoxyphenyl)[3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192800
(3-fluoro-4-methoxyphenyl)[3-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192817
7-[3-(Trifluoromethoxy)benzoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyrazine
CID 53193593
(2,3-Dimethoxyphenyl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53584181
[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 53591026
(4-Chloro-2-methoxyphenyl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53604177

Frequently Asked Questions

What is the IUPAC name of [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 91905096) is [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is COCc1nncn1C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is CWRDXLPWFISIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-26-10-15-22-21-11-24(15)12-6-8-23(9-7-12)16(25)13-4-2-3-5-14(13)27-17(18,19)20/h2-5,11-12H,6-10H2,1H3.
What are the key properties of [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 384.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 91905096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).