4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide

C10H20N4O — CID 66718761

IUPAC4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N4O/c1-10(2,3)8(15)13-4-6-14(7-5-13)9(11)12/h4-7H2,1-3H3,(H3,11,12)
InChIKeyRAOVINAWMBQNBG-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.07
Rot. Bonds

About 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide

4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide (PubChem CID 66718761) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
PubChem CID66718761
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N4O/c1-10(2,3)8(15)13-4-6-14(7-5-13)9(11)12/h4-7H2,1-3H3,(H3,11,12)
InChIKeyRAOVINAWMBQNBG-UHFFFAOYSA-N
XLogP0.07
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
bis(4-methylpiperazine-1-carboximidamide);sulfate
CID 20848838
3-tert-butyl-1-carbamimidoylazetidine-3-carboxamide
CID 170386391
1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
CID 123572540
4-methyl-1,4-diazepane-1-carboximidamide
CID 43209360
4-propylpiperazine-1-carboximidamide
CID 18176782
4-oxopiperidine-1-carboximidamide
CID 19089226
ethane;4-methyl-1,4-diazepane-1-carboximidamide
CID 142313225
2-[(4-carbamimidoylpiperazine-1-carbonyl)amino]acetic acid
CID 54124814

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide (CID 66718761) is 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide?
The InChIKey is RAOVINAWMBQNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-10(2,3)8(15)13-4-6-14(7-5-13)9(11)12/h4-7H2,1-3H3,(H3,11,12).
What are the key properties of 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide?
4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide has a molecular weight of 212.30 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide is sourced from PubChem (CID 66718761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).