N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide

C12H24N4O3 — CID 77012839

IUPACN'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C12H24N4O3/c1-3-4-10(12(13)14-18)15-5-7-16(8-6-15)11(17)9-19-2/h10,18H,3-9H2,1-2H3,(H2,13,14)
InChIKeyOAKWFRCLPCUZSU-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.31
Rot. Bonds6

About N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide

N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide (PubChem CID 77012839) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
PubChem CID77012839
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC NameN'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C12H24N4O3/c1-3-4-10(12(13)14-18)15-5-7-16(8-6-15)11(17)9-19-2/h10,18H,3-9H2,1-2H3,(H2,13,14)
InChIKeyOAKWFRCLPCUZSU-UHFFFAOYSA-N
XLogP-0.31
TPSA91.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
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

2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 55222178
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
CID 77012597
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
CID 77012111
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 104892242
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746
2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanenitrile
CID 63337476
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
CID 61277957
2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one
CID 65227640
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77046495
2-[4-(2-ethylsulfanylethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 104863512
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012475
4-(1-amino-1-hydroxyiminobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 104858959

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide (CID 77012839) is N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide is CCCC(C(N)=NO)N1CCN(C(=O)COC)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide?
The InChIKey is OAKWFRCLPCUZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-3-4-10(12(13)14-18)15-5-7-16(8-6-15)11(17)9-19-2/h10,18H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide?
N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide has a molecular weight of 272.35 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 77012839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).