N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide

C10H20N4O2 — CID 43585576

IUPACN'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
SMILESCC(C)N1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C10H20N4O2/c1-8(2)13-3-5-14(6-4-13)10(15)7-9(11)12-16/h8,16H,3-7H2,1-2H3,(H2,11,12)
InChIKeyIRYJWBKGPRLHRN-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.32
Rot. Bonds3

About N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide

N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide (PubChem CID 43585576) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
PubChem CID43585576
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
SMILESCC(C)N1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C10H20N4O2/c1-8(2)13-3-5-14(6-4-13)10(15)7-9(11)12-16/h8,16H,3-7H2,1-2H3,(H2,11,12)
InChIKeyIRYJWBKGPRLHRN-UHFFFAOYSA-N
XLogP-0.32
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.32
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide (CID 43585576) is N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide is CC(C)N1CCN(C(=O)C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
The InChIKey is IRYJWBKGPRLHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-8(2)13-3-5-14(6-4-13)10(15)7-9(11)12-16/h8,16H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide has a molecular weight of 228.30 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 43585576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).