[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

C24H26N4O3 — CID 55326103

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O3/c1-2-19-13-9-10-16-27(19)21(29)17-31-24(30)22-25-23(18-11-5-3-6-12-18)28(26-22)20-14-7-4-8-15-20/h3-8,11-12,14-15,19H,2,9-10,13,16-17H2,1H3
InChIKeyPEBMQGYFRARDPV-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.88
Rot. Bonds6

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate (PubChem CID 55326103) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
PubChem CID55326103
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O3/c1-2-19-13-9-10-16-27(19)21(29)17-31-24(30)22-25-23(18-11-5-3-6-12-18)28(26-22)20-14-7-4-8-15-20/h3-8,11-12,14-15,19H,2,9-10,13,16-17H2,1H3
InChIKeyPEBMQGYFRARDPV-UHFFFAOYSA-N
XLogP3.88
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557219
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617484
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7991964
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7291203
(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2103687
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 7203935
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606581
[2-(methylcarbamoylamino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606617
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18080459
[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606622
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2394694

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate (CID 55326103) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate is CCC1CCCCN1C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
The InChIKey is PEBMQGYFRARDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-2-19-13-9-10-16-27(19)21(29)17-31-24(30)22-25-23(18-11-5-3-6-12-18)28(26-22)20-14-7-4-8-15-20/h3-8,11-12,14-15,19H,2,9-10,13,16-17H2,1H3.
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 55326103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).