1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea

C12H24N4O2 — CID 67821542

IUPAC1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea
SMILESCC(=O)N1C(C)(C)CC(N(N)C(N)=O)CC1(C)C
InChIInChI=1S/C12H24N4O2/c1-8(17)16-11(2,3)6-9(7-12(16,4)5)15(14)10(13)18/h9H,6-7,14H2,1-5H3,(H2,13,18)
InChIKeyHJVHVJIJCOKFQG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.81
Rot. Bonds1

About 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea

1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea (PubChem CID 67821542) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea.

Molecular Properties

Compound Name1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea
PubChem CID67821542
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea
SMILESCC(=O)N1C(C)(C)CC(N(N)C(N)=O)CC1(C)C
InChIInChI=1S/C12H24N4O2/c1-8(17)16-11(2,3)6-9(7-12(16,4)5)15(14)10(13)18/h9H,6-7,14H2,1-5H3,(H2,13,18)
InChIKeyHJVHVJIJCOKFQG-UHFFFAOYSA-N
XLogP0.81
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea
CID 18955667
2-[(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-aminoamino]-2-oxoacetamide
CID 21624210
2-[Amino-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-2-oxoacetamide
CID 21624216
1-Amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 67555179
1-Amino-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
CID 67555565
N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide
CID 130241387

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea?
The IUPAC name of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea (CID 67821542) is 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea.
What is the SMILES notation for 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea?
The canonical SMILES for 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea is CC(=O)N1C(C)(C)CC(N(N)C(N)=O)CC1(C)C.
What is the InChIKey of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea?
The InChIKey is HJVHVJIJCOKFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-8(17)16-11(2,3)6-9(7-12(16,4)5)15(14)10(13)18/h9H,6-7,14H2,1-5H3,(H2,13,18).
What are the key properties of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea?
1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea has a molecular weight of 256.35 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea is sourced from PubChem (CID 67821542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).