N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide

C14H28N4O2 — CID 104982318

IUPACN'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide
SMILESCCC(C)CC(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H28N4O2/c1-5-11(2)10-12(19)17-6-8-18(9-7-17)14(3,4)13(15)16-20/h11,20H,5-10H2,1-4H3,(H2,15,16)
InChIKeyWEDAHWSGVLBBCP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.09
Rot. Bonds5

About N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide (PubChem CID 104982318) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide
PubChem CID104982318
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide
SMILESCCC(C)CC(=O)N1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H28N4O2/c1-5-11(2)10-12(19)17-6-8-18(9-7-17)14(3,4)13(15)16-20/h11,20H,5-10H2,1-4H3,(H2,15,16)
InChIKeyWEDAHWSGVLBBCP-UHFFFAOYSA-N
XLogP1.09
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012843
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 55203523
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
CID 55219817
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 107912433
(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one
CID 100704548
4-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 81071277
N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
CID 104863517
N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide
CID 77012740

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide (CID 104982318) is N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide is CCC(C)CC(=O)N1CCN(C(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide?
The InChIKey is WEDAHWSGVLBBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-5-11(2)10-12(19)17-6-8-18(9-7-17)14(3,4)13(15)16-20/h11,20H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide has a molecular weight of 284.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(3-methylpentanoyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 104982318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).