ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate

C23H25N5O3 — CID 46636610

IUPACethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H25N5O3/c1-2-31-23(30)27-15-13-18(14-16-27)24-22(29)20-25-21(17-9-5-3-6-10-17)28(26-20)19-11-7-4-8-12-19/h3-12,18H,2,13-16H2,1H3,(H,24,29)
InChIKeyBDJDLDQBHICFCD-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.29
Rot. Bonds5

About ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 46636610) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID46636610
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Nameethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H25N5O3/c1-2-31-23(30)27-15-13-18(14-16-27)24-22(29)20-25-21(17-9-5-3-6-10-17)28(26-20)19-11-7-4-8-12-19/h3-12,18H,2,13-16H2,1H3,(H,24,29)
InChIKeyBDJDLDQBHICFCD-UHFFFAOYSA-N
XLogP3.29
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 6623485
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46681221
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 77086895
ethyl 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 43004410
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119455718
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
ethyl 4-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 55561596
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]butanoate
CID 37258916

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate (CID 46636610) is ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1.
What is the InChIKey of ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is BDJDLDQBHICFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-2-31-23(30)27-15-13-18(14-16-27)24-22(29)20-25-21(17-9-5-3-6-10-17)28(26-20)19-11-7-4-8-12-19/h3-12,18H,2,13-16H2,1H3,(H,24,29).
What are the key properties of ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 419.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 46636610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).