ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate

C11H18N4O2 — CID 61072127

IUPACethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C11H18N4O2/c1-3-17-11(16)15-6-4-5-9(7-15)10-13-12-8-14(10)2/h8-9H,3-7H2,1-2H3
InChIKeyRQXPMIUULXHFQA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.15
Rot. Bonds2

About ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate

ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate (PubChem CID 61072127) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
PubChem CID61072127
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nameethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(c2nncn2C)C1
InChIInChI=1S/C11H18N4O2/c1-3-17-11(16)15-6-4-5-9(7-15)10-13-12-8-14(10)2/h8-9H,3-7H2,1-2H3
InChIKeyRQXPMIUULXHFQA-UHFFFAOYSA-N
XLogP1.15
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
2-(4-ethoxyphenyl)-1-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 94021780
(1-aminocyclohexyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 60964072
4-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 79203756
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 136544708
5-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 79199865
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
5-chloro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 54876034
(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 61108625
[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 25491092
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate (CID 61072127) is ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate is CCOC(=O)N1CCCC(c2nncn2C)C1.
What is the InChIKey of ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
The InChIKey is RQXPMIUULXHFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-17-11(16)15-6-4-5-9(7-15)10-13-12-8-14(10)2/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate?
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 61072127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).