ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate

C14H24N4O2 — CID 83231684

IUPACethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nnc(C)n1CC(C)N1CCCCC1
InChIInChI=1S/C14H24N4O2/c1-4-20-14(19)13-16-15-12(3)18(13)10-11(2)17-8-6-5-7-9-17/h11H,4-10H2,1-3H3
InChIKeyGSPKLMWXBOZLGM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.64
Rot. Bonds5

About ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate

ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate (PubChem CID 83231684) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate
PubChem CID83231684
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nnc(C)n1CC(C)N1CCCCC1
InChIInChI=1S/C14H24N4O2/c1-4-20-14(19)13-16-15-12(3)18(13)10-11(2)17-8-6-5-7-9-17/h11H,4-10H2,1-3H3
InChIKeyGSPKLMWXBOZLGM-UHFFFAOYSA-N
XLogP1.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate (CID 83231684) is ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nnc(C)n1CC(C)N1CCCCC1.
What is the InChIKey of ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate?
The InChIKey is GSPKLMWXBOZLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-20-14(19)13-16-15-12(3)18(13)10-11(2)17-8-6-5-7-9-17/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate?
ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-(2-piperidin-1-ylpropyl)-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 83231684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).