N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide

C17H20FN5O2 — CID 154782897

IUPACN-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide
SMILESCc1nc(NC(=O)CC2CCCC(=O)N2)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C17H20FN5O2/c1-10-8-12(18)6-7-14(10)23-17(19-11(2)22-23)21-16(25)9-13-4-3-5-15(24)20-13/h6-8,13H,3-5,9H2,1-2H3,(H,20,24)(H,19,21,22,25)
InChIKeyTXHKUZOJIVXUMK-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide

N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide (PubChem CID 154782897) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide
PubChem CID154782897
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide
SMILESCc1nc(NC(=O)CC2CCCC(=O)N2)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C17H20FN5O2/c1-10-8-12(18)6-7-14(10)23-17(19-11(2)22-23)21-16(25)9-13-4-3-5-15(24)20-13/h6-8,13H,3-5,9H2,1-2H3,(H,20,24)(H,19,21,22,25)
InChIKeyTXHKUZOJIVXUMK-UHFFFAOYSA-N
XLogP2.02
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide (CID 154782897) is N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide is Cc1nc(NC(=O)CC2CCCC(=O)N2)n(-c2ccc(F)cc2C)n1.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide?
The InChIKey is TXHKUZOJIVXUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-10-8-12(18)6-7-14(10)23-17(19-11(2)22-23)21-16(25)9-13-4-3-5-15(24)20-13/h6-8,13H,3-5,9H2,1-2H3,(H,20,24)(H,19,21,22,25).
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide?
N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide is sourced from PubChem (CID 154782897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).