2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide

C15H30N4O2 — CID 77000518

IUPAC2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CCN(C)C(C)C1)C(N)=NO
InChIInChI=1S/C15H30N4O2/c1-5-7-15(8-6-2,13(16)17-21)14(20)19-10-9-18(4)12(3)11-19/h12,21H,5-11H2,1-4H3,(H2,16,17)
InChIKeyFUYBCOWUQYCPHT-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.48
Rot. Bonds6

About 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide

2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide (PubChem CID 77000518) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
PubChem CID77000518
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CCN(C)C(C)C1)C(N)=NO
InChIInChI=1S/C15H30N4O2/c1-5-7-15(8-6-2,13(16)17-21)14(20)19-10-9-18(4)12(3)11-19/h12,21H,5-11H2,1-4H3,(H2,16,17)
InChIKeyFUYBCOWUQYCPHT-UHFFFAOYSA-N
XLogP1.48
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.48
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 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
The IUPAC name of 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide (CID 77000518) is 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide.
What is the SMILES notation for 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
The canonical SMILES for 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide is CCCC(CCC)(C(=O)N1CCN(C)C(C)C1)C(N)=NO.
What is the InChIKey of 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
The InChIKey is FUYBCOWUQYCPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-5-7-15(8-6-2,13(16)17-21)14(20)19-10-9-18(4)12(3)11-19/h12,21H,5-11H2,1-4H3,(H2,16,17).
What are the key properties of 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide has a molecular weight of 298.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide is sourced from PubChem (CID 77000518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).