ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate

C11H18N4O2 — CID 58493124

IUPACethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCN(C)CC2)nn1
InChIInChI=1S/C11H18N4O2/c1-3-17-11(16)10-8-15(13-12-10)9-4-6-14(2)7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyLDBXEOSODQFZND-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds3

About ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate

ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate (PubChem CID 58493124) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
PubChem CID58493124
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nameethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCN(C)CC2)nn1
InChIInChI=1S/C11H18N4O2/c1-3-17-11(16)10-8-15(13-12-10)9-4-6-14(2)7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyLDBXEOSODQFZND-UHFFFAOYSA-N
XLogP0.72
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(thian-4-yl)triazole-4-carboxylate
CID 122241137
ethyl 1-[(4S)-1,2-oxazolidin-4-yl]triazole-4-carboxylate
CID 165444809
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
ethyl 1-[(3R,4S)-4-aminooxolan-3-yl]triazole-4-carboxylate
CID 178194330
(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)methyl 1-cyclobutyltriazole-4-carboxylate
CID 166239394
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
methyl 1-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]triazole-4-carboxylate
CID 75456867
1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide
CID 154789313
ethyl 1-(4-oxocyclohexyl)pyrazole-3-carboxylate
CID 134414493

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate?
The IUPAC name of ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate (CID 58493124) is ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate?
The canonical SMILES for ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate is CCOC(=O)c1cn(C2CCN(C)CC2)nn1.
What is the InChIKey of ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate?
The InChIKey is LDBXEOSODQFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-17-11(16)10-8-15(13-12-10)9-4-6-14(2)7-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate?
ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate is sourced from PubChem (CID 58493124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).