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

C11H17N5O4 — CID 136832042

IUPACethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H17N5O4/c1-2-20-11(19)16-5-3-7(4-6-16)12-9(17)8-13-10(18)15-14-8/h7H,2-6H2,1H3,(H,12,17)(H2,13,14,15,18)
InChIKeyIEHBZBFVQBPZCW-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.55
Rot. Bonds3

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

ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 136832042) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID136832042
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Nameethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H17N5O4/c1-2-20-11(19)16-5-3-7(4-6-16)12-9(17)8-13-10(18)15-14-8/h7H,2-6H2,1H3,(H,12,17)(H2,13,14,15,18)
InChIKeyIEHBZBFVQBPZCW-UHFFFAOYSA-N
XLogP-0.55
TPSA120.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24644255
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 110695247
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
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CID 167897068
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[[2-(1,3-dioxolan-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 167840317
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
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ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-[[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 78880710
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CID 113204728

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate (CID 136832042) is ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is IEHBZBFVQBPZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-2-20-11(19)16-5-3-7(4-6-16)12-9(17)8-13-10(18)15-14-8/h7H,2-6H2,1H3,(H,12,17)(H2,13,14,15,18).
What are the key properties of ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 283.29 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 136832042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).