tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate

C15H25N5O3 — CID 75494536

IUPACtert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)NCc2cn[nH]n2)CC1
InChIInChI=1S/C15H25N5O3/c1-15(2,3)23-14(22)20-6-4-11(5-7-20)8-13(21)16-9-12-10-17-19-18-12/h10-11H,4-9H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyZEADLHKSOYPDNP-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.46
Rot. Bonds4

About tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate (PubChem CID 75494536) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate
PubChem CID75494536
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Nametert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)NCc2cn[nH]n2)CC1
InChIInChI=1S/C15H25N5O3/c1-15(2,3)23-14(22)20-6-4-11(5-7-20)8-13(21)16-9-12-10-17-19-18-12/h10-11H,4-9H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyZEADLHKSOYPDNP-UHFFFAOYSA-N
XLogP1.46
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 47451409
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CID 165436541
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CID 79699650
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CID 121305491
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CID 90219206
2H-triazol-4-ylmethylcarbamoyl pyrrolidine-1-carboperoxoate
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tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653
tert-butyl 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 106380530
tert-butyl 4-(3-hydroxy-2-oxopropyl)piperidine-1-carboxylate
CID 90046892
tert-butyl 4-[(thiophen-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 78915930
tert-butyl 4-[2-[[1-(4-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 56503091

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate (CID 75494536) is tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2cn[nH]n2)CC1.
What is the InChIKey of tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is ZEADLHKSOYPDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-15(2,3)23-14(22)20-6-4-11(5-7-20)8-13(21)16-9-12-10-17-19-18-12/h10-11H,4-9H2,1-3H3,(H,16,21)(H,17,18,19).
What are the key properties of tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 323.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 75494536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).