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

C17H28N6O3 — CID 90542986

IUPAC2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C17H28N6O3/c1-11(2)18-16(25)19-14(24)10-22-8-6-12(7-9-22)15-20-21(3)17(26)23(15)13-4-5-13/h11-13H,4-10H2,1-3H3,(H2,18,19,24,25)
InChIKeyJCTJZNJKLHNMMA-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.33
Rot. Bonds5

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

2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 90542986) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID90542986
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C17H28N6O3/c1-11(2)18-16(25)19-14(24)10-22-8-6-12(7-9-22)15-20-21(3)17(26)23(15)13-4-5-13/h11-13H,4-10H2,1-3H3,(H2,18,19,24,25)
InChIKeyJCTJZNJKLHNMMA-UHFFFAOYSA-N
XLogP0.33
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (CID 90542986) is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)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-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is JCTJZNJKLHNMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-11(2)18-16(25)19-14(24)10-22-8-6-12(7-9-22)15-20-21(3)17(26)23(15)13-4-5-13/h11-13H,4-10H2,1-3H3,(H2,18,19,24,25).
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 90542986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).