N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide

C13H26N4O3 — CID 77032995

IUPACN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide
SMILESCC(C)(O)CN1CCN(C(=O)C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H26N4O3/c1-12(2,19)9-16-5-7-17(8-6-16)11(18)13(3,4)10(14)15-20/h19-20H,5-9H2,1-4H3,(H2,14,15)
InChIKeyWKEOLHVQOXHCHH-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.33
Rot. Bonds4

About N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide

N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide (PubChem CID 77032995) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide
PubChem CID77032995
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC NameN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide
SMILESCC(C)(O)CN1CCN(C(=O)C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H26N4O3/c1-12(2,19)9-16-5-7-17(8-6-16)11(18)13(3,4)10(14)15-20/h19-20H,5-9H2,1-4H3,(H2,14,15)
InChIKeyWKEOLHVQOXHCHH-UHFFFAOYSA-N
XLogP-0.33
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63656391
N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide
CID 77033006
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76920595
N'-amino-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboximidamide
CID 104881892
N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide
CID 77001919
N'-hydroxy-2,2-dimethyl-3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
CID 76919935
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107030633
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76986953
2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide
CID 76920521
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]but-2-yn-1-one
CID 106741463
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide
CID 79159489

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide (CID 77032995) is N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide is CC(C)(O)CN1CCN(C(=O)C(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide?
The InChIKey is WKEOLHVQOXHCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-12(2,19)9-16-5-7-17(8-6-16)11(18)13(3,4)10(14)15-20/h19-20H,5-9H2,1-4H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide?
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide has a molecular weight of 286.38 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanimidamide is sourced from PubChem (CID 77032995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).