N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide

C10H15N5O2 — CID 112686233

IUPACN-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1cn[nH]n1
InChIInChI=1S/C10H15N5O2/c16-9(15-4-2-1-3-5-15)7-11-10(17)8-6-12-14-13-8/h6H,1-5,7H2,(H,11,17)(H,12,13,14)
InChIKeyGPWLTPFKZZLSNV-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.45
Rot. Bonds3

About N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide

N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide (PubChem CID 112686233) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
PubChem CID112686233
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1cn[nH]n1
InChIInChI=1S/C10H15N5O2/c16-9(15-4-2-1-3-5-15)7-11-10(17)8-6-12-14-13-8/h6H,1-5,7H2,(H,11,17)(H,12,13,14)
InChIKeyGPWLTPFKZZLSNV-UHFFFAOYSA-N
XLogP-0.45
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide (CID 112686233) is N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide is O=C(NCC(=O)N1CCCCC1)c1cn[nH]n1.
What is the InChIKey of N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide?
The InChIKey is GPWLTPFKZZLSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c16-9(15-4-2-1-3-5-15)7-11-10(17)8-6-12-14-13-8/h6H,1-5,7H2,(H,11,17)(H,12,13,14).
What are the key properties of N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide?
N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112686233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).