[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

C17H21FN4O2 — CID 53192747

IUPAC[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCn1cnnc1C1CCCN(C(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C17H21FN4O2/c1-3-21-11-19-20-16(21)13-5-4-8-22(10-13)17(23)12-6-7-15(24-2)14(18)9-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3
InChIKeyYPBJHDDOJSKJLS-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.47
Rot. Bonds4

About [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 53192747) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID53192747
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCn1cnnc1C1CCCN(C(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C17H21FN4O2/c1-3-21-11-19-20-16(21)13-5-4-8-22(10-13)17(23)12-6-7-15(24-2)14(18)9-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3
InChIKeyYPBJHDDOJSKJLS-UHFFFAOYSA-N
XLogP2.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone
CID 2938648
N-[(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CID 4048413
[4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 44410015
1-(3-Fluoro-4-methoxybenzoyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-YL)methyl]piperidine
CID 91906475
N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CID 4455561
4-[3-(Methoxymethyl)-4H-1,2,4-triazol-4-YL]-1-[2-(trifluoromethoxy)benzoyl]piperidine
CID 91905096
3-{3-[2-(Cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}-1-(3-fluoro-4-methoxybenzoyl)piperidine
CID 124053836
N-((4-ethyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
CID 4174169
4-methoxy-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588885
4-butoxy-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588892
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-fluoro-4-methoxybenzamide
CID 17537531
2-(3-Fluoro-4-methoxyphenyl)-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 32015185

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 53192747) is [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is CCn1cnnc1C1CCCN(C(=O)c2ccc(OC)c(F)c2)C1.
What is the InChIKey of [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is YPBJHDDOJSKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-3-21-11-19-20-16(21)13-5-4-8-22(10-13)17(23)12-6-7-15(24-2)14(18)9-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3.
What are the key properties of [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 332.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 53192747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).