2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide

C12H24N4O2 — CID 76925181

IUPAC2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCN(CC)CC1)C(N)=NO
InChIInChI=1S/C12H24N4O2/c1-3-5-10(11(13)14-18)12(17)16-8-6-15(4-2)7-9-16/h10,18H,3-9H2,1-2H3,(H2,13,14)
InChIKeyMCSINPIWYCERRL-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.31
Rot. Bonds5

About 2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide

2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide (PubChem CID 76925181) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide
PubChem CID76925181
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCN(CC)CC1)C(N)=NO
InChIInChI=1S/C12H24N4O2/c1-3-5-10(11(13)14-18)12(17)16-8-6-15(4-2)7-9-16/h10,18H,3-9H2,1-2H3,(H2,13,14)
InChIKeyMCSINPIWYCERRL-UHFFFAOYSA-N
XLogP0.31
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.31
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-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide (CID 76925181) is 2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide is CCCC(C(=O)N1CCN(CC)CC1)C(N)=NO.
What is the InChIKey of 2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide?
The InChIKey is MCSINPIWYCERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-5-10(11(13)14-18)12(17)16-8-6-15(4-2)7-9-16/h10,18H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide?
2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide has a molecular weight of 256.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazine-1-carbonyl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 76925181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).