[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone

C16H19FN4O — CID 53333518

IUPAC[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1c(F)cccc1-n1nnc(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C16H19FN4O/c1-11-13(17)7-6-8-14(11)21-12(2)15(18-19-21)16(22)20-9-4-3-5-10-20/h6-8H,3-5,9-10H2,1-2H3
InChIKeyAWEATKJLCMRYLH-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.65
Rot. Bonds2

About [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone

[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 53333518) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone
PubChem CID53333518
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1c(F)cccc1-n1nnc(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C16H19FN4O/c1-11-13(17)7-6-8-14(11)21-12(2)15(18-19-21)16(22)20-9-4-3-5-10-20/h6-8H,3-5,9-10H2,1-2H3
InChIKeyAWEATKJLCMRYLH-UHFFFAOYSA-N
XLogP2.65
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone 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

1-[10-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]-3-methylbutan-1-one
CID 110074507
2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 46957228
1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]piperidine-3-carboxylic acid
CID 75469060
1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 53333415
1-[1-(3-chloro-2-methylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671078
1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 53333407
1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine
CID 79508411
ethyl 1-(3-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836315
[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488163
1-(3-fluoro-2-methylphenyl)-5-pyridin-2-yltriazole-4-carboxylic acid
CID 53331236
1,4-diazepan-1-yl-(1-isoquinolin-5-yl-5-methyltriazol-4-yl)methanone;dihydrochloride
CID 119416900
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone (CID 53333518) is [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone is Cc1c(F)cccc1-n1nnc(C(=O)N2CCCCC2)c1C.
What is the InChIKey of [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is AWEATKJLCMRYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-13(17)7-6-8-14(11)21-12(2)15(18-19-21)16(22)20-9-4-3-5-10-20/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone?
[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 302.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53333518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).