2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide

C16H23N7O2 — CID 72869386

IUPAC2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCc1nc(CCC(=O)N2CCC(c3nccn3CC(N)=O)CC2)n[nH]1
InChIInChI=1S/C16H23N7O2/c1-11-19-14(21-20-11)2-3-15(25)22-7-4-12(5-8-22)16-18-6-9-23(16)10-13(17)24/h6,9,12H,2-5,7-8,10H2,1H3,(H2,17,24)(H,19,20,21)
InChIKeyDBVSFOIHQZGPMV-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.13
Rot. Bonds6

About 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72869386) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72869386
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCc1nc(CCC(=O)N2CCC(c3nccn3CC(N)=O)CC2)n[nH]1
InChIInChI=1S/C16H23N7O2/c1-11-19-14(21-20-11)2-3-15(25)22-7-4-12(5-8-22)16-18-6-9-23(16)10-13(17)24/h6,9,12H,2-5,7-8,10H2,1H3,(H2,17,24)(H,19,20,21)
InChIKeyDBVSFOIHQZGPMV-UHFFFAOYSA-N
XLogP0.13
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide (CID 72869386) is 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide is Cc1nc(CCC(=O)N2CCC(c3nccn3CC(N)=O)CC2)n[nH]1.
What is the InChIKey of 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is DBVSFOIHQZGPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-11-19-14(21-20-11)2-3-15(25)22-7-4-12(5-8-22)16-18-6-9-23(16)10-13(17)24/h6,9,12H,2-5,7-8,10H2,1H3,(H2,17,24)(H,19,20,21).
What are the key properties of 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72869386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).