ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate

C14H26N4O4 — CID 19021251

IUPACethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)(C)CC(NC(=O)C(=O)NN)CC1(C)C
InChIInChI=1S/C14H26N4O4/c1-6-22-12(21)18-13(2,3)7-9(8-14(18,4)5)16-10(19)11(20)17-15/h9H,6-8,15H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyTXWUSNTXKSGHNV-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.27
Rot. Bonds2

About ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate

ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate (PubChem CID 19021251) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate
PubChem CID19021251
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Nameethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)(C)CC(NC(=O)C(=O)NN)CC1(C)C
InChIInChI=1S/C14H26N4O4/c1-6-22-12(21)18-13(2,3)7-9(8-14(18,4)5)16-10(19)11(20)17-15/h9H,6-8,15H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyTXWUSNTXKSGHNV-UHFFFAOYSA-N
XLogP0.27
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Oxo-((2,2,6,6-tetramethylpiperidin-4-yl)amino)carbonylacetohydrazide
CID 3086601
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 14745327
2-[(1,2,2,6,6-Pentamethylpiperidin-4-yl)amino]acetohydrazide
CID 18955669
2-hydrazinyl-2-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetamide
CID 18955679
2-(2-acetylhydrazinyl)-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 19009224
4-[(2-hydrazinyl-2-oxoacetyl)amino]-N,N,2,2,6,6-hexamethylpiperidine-1-carboxamide
CID 19021238
N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide
CID 19021259
N-methyl-2-[methylamino-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoacetamide
CID 19021273
Ethyl 2-[4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl]acetate
CID 19021279
N-(1-cyclohexyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 19021287
N-butyl-2-hydrazinyl-2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 19609560
Ethyl 4-[amino(oxamoyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate
CID 19760731

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate (CID 19021251) is ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate is CCOC(=O)N1C(C)(C)CC(NC(=O)C(=O)NN)CC1(C)C.
What is the InChIKey of ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate?
The InChIKey is TXWUSNTXKSGHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-6-22-12(21)18-13(2,3)7-9(8-14(18,4)5)16-10(19)11(20)17-15/h9H,6-8,15H2,1-5H3,(H,16,19)(H,17,20).
What are the key properties of ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate?
ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-hydrazinyl-2-oxoacetyl)amino]-2,2,6,6-tetramethylpiperidine-1-carboxylate is sourced from PubChem (CID 19021251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).