2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide

C19H23F2N5O2 — CID 73167728

IUPAC2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide
SMILESCn1nc(C2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)n(C2CC2)c1=O
InChIInChI=1S/C19H23F2N5O2/c1-24-19(28)26(14-3-4-14)18(23-24)12-6-8-25(9-7-12)11-17(27)22-16-10-13(20)2-5-15(16)21/h2,5,10,12,14H,3-4,6-9,11H2,1H3,(H,22,27)
InChIKeyIEHIUTBDXJPLFP-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.01
Rot. Bonds5

About 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide

2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 73167728) has the molecular formula C19H23F2N5O2 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide
PubChem CID73167728
Molecular FormulaC19H23F2N5O2
Molecular Weight391.42 g/mol
Exact Mass391.18
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide
SMILESCn1nc(C2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)n(C2CC2)c1=O
InChIInChI=1S/C19H23F2N5O2/c1-24-19(28)26(14-3-4-14)18(23-24)12-6-8-25(9-7-12)11-17(27)22-16-10-13(20)2-5-15(16)21/h2,5,10,12,14H,3-4,6-9,11H2,1H3,(H,22,27)
InChIKeyIEHIUTBDXJPLFP-UHFFFAOYSA-N
XLogP2.01
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide (CID 73167728) is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide is Cn1nc(C2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)n(C2CC2)c1=O.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is IEHIUTBDXJPLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2/c1-24-19(28)26(14-3-4-14)18(23-24)12-6-8-25(9-7-12)11-17(27)22-16-10-13(20)2-5-15(16)21/h2,5,10,12,14H,3-4,6-9,11H2,1H3,(H,22,27).
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 391.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 73167728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).