5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid

C15H24N4O4 — CID 125452272

IUPAC5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N4O4/c1-5-11-12(13(20)21)16-17-19(11)10-6-8-18(9-7-10)14(22)23-15(2,3)4/h10H,5-9H2,1-4H3,(H,20,21)
InChIKeyGKAXFBZKYZKKCY-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.11
Rot. Bonds3

About 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid

5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid (PubChem CID 125452272) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
PubChem CID125452272
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N4O4/c1-5-11-12(13(20)21)16-17-19(11)10-6-8-18(9-7-10)14(22)23-15(2,3)4/h10H,5-9H2,1-4H3,(H,20,21)
InChIKeyGKAXFBZKYZKKCY-UHFFFAOYSA-N
XLogP2.11
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
CID 118961780
ethyl 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 171074856
tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate
CID 118961816
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
tert-butyl 4-(4,9-dioxobenzo[f]benzotriazol-3-yl)piperidine-1-carboxylate
CID 25194500
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 125453280
tert-butyl 4-(4-bromo-3-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
CID 163524055
5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-(oxan-3-yl)triazole-4-carboxylic acid
CID 107137423
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
CID 73013691

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid (CID 125452272) is 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid?
The InChIKey is GKAXFBZKYZKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-5-11-12(13(20)21)16-17-19(11)10-6-8-18(9-7-10)14(22)23-15(2,3)4/h10H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid?
5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 125452272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).