2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate

C11H17N5O3 — CID 90219417

IUPAC2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate
SMILESO=C(NCCOC(=O)N1CCCCC1)c1cn[nH]n1
InChIInChI=1S/C11H17N5O3/c17-10(9-8-13-15-14-9)12-4-7-19-11(18)16-5-2-1-3-6-16/h8H,1-7H2,(H,12,17)(H,13,14,15)
InChIKeyMANBGWSUJDSEFF-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.16
Rot. Bonds4

About 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate

2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate (PubChem CID 90219417) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate
PubChem CID90219417
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate
SMILESO=C(NCCOC(=O)N1CCCCC1)c1cn[nH]n1
InChIInChI=1S/C11H17N5O3/c17-10(9-8-13-15-14-9)12-4-7-19-11(18)16-5-2-1-3-6-16/h8H,1-7H2,(H,12,17)(H,13,14,15)
InChIKeyMANBGWSUJDSEFF-UHFFFAOYSA-N
XLogP0.16
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate?
The IUPAC name of 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate (CID 90219417) is 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate.
What is the SMILES notation for 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate?
The canonical SMILES for 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate is O=C(NCCOC(=O)N1CCCCC1)c1cn[nH]n1.
What is the InChIKey of 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate?
The InChIKey is MANBGWSUJDSEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-10(9-8-13-15-14-9)12-4-7-19-11(18)16-5-2-1-3-6-16/h8H,1-7H2,(H,12,17)(H,13,14,15).
What are the key properties of 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate?
2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate is sourced from PubChem (CID 90219417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).