1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea

C12H24N4O2 — CID 18955667

IUPAC1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea
SMILESCC(=O)N1C(C)(C)CC(NC(=O)NN)CC1(C)C
InChIInChI=1S/C12H24N4O2/c1-8(17)16-11(2,3)6-9(7-12(16,4)5)14-10(18)15-13/h9H,6-7,13H2,1-5H3,(H2,14,15,18)
InChIKeyPODGEEKTHZETGP-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.73
Rot. Bonds1

About 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea

1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea (PubChem CID 18955667) 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)-3-aminourea.

Molecular Properties

Compound Name1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea
PubChem CID18955667
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea
SMILESCC(=O)N1C(C)(C)CC(NC(=O)NN)CC1(C)C
InChIInChI=1S/C12H24N4O2/c1-8(17)16-11(2,3)6-9(7-12(16,4)5)14-10(18)15-13/h9H,6-7,13H2,1-5H3,(H2,14,15,18)
InChIKeyPODGEEKTHZETGP-UHFFFAOYSA-N
XLogP0.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.73
H-Bond Donors ≤ 53
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

3-hydrazinyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 14745324
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 14745327
4-hydrazinyl-4-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide
CID 18955673
3-[(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]propanehydrazide
CID 18955674
2-hydrazinyl-2-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetamide
CID 18955679
4-[(2-hydrazinyl-2-oxoacetyl)amino]-N,N,2,2,6,6-hexamethylpiperidine-1-carboxamide
CID 19021238
1-Amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 19609577
1-Amino-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
CID 19609583
2-[2-(butylcarbamoyl)hydrazinyl]-2-oxo-N,N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)acetamide
CID 20085758
1-Amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 67555179
1-(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-1-aminourea
CID 67821542
N-(3-hydrazinyl-3-oxopropyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 70556827

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea?
The IUPAC name of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea (CID 18955667) is 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea.
What is the SMILES notation for 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea?
The canonical SMILES for 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea is CC(=O)N1C(C)(C)CC(NC(=O)NN)CC1(C)C.
What is the InChIKey of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea?
The InChIKey is PODGEEKTHZETGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-8(17)16-11(2,3)6-9(7-12(16,4)5)14-10(18)15-13/h9H,6-7,13H2,1-5H3,(H2,14,15,18).
What are the key properties of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea?
1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-aminourea has a molecular weight of 256.35 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 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)-3-aminourea is sourced from PubChem (CID 18955667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).