2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

C16H32N6O — CID 166945907

IUPAC2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)CN3CCN(N)CC3)CC2)CC1
InChIInChI=1S/C16H32N6O/c1-18-4-2-15(3-5-18)20-8-10-21(11-9-20)16(23)14-19-6-12-22(17)13-7-19/h15H,2-14,17H2,1H3
InChIKeyAASKXNYIHWIWNG-UHFFFAOYSA-N
MW324.47 g/mol
LogP-1.28
Rot. Bonds3

About 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 166945907) has the molecular formula C16H32N6O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
PubChem CID166945907
Molecular FormulaC16H32N6O
Molecular Weight324.47 g/mol
Exact Mass324.26
IUPAC Name2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)CN3CCN(N)CC3)CC2)CC1
InChIInChI=1S/C16H32N6O/c1-18-4-2-15(3-5-18)20-8-10-21(11-9-20)16(23)14-19-6-12-22(17)13-7-19/h15H,2-14,17H2,1H3
InChIKeyAASKXNYIHWIWNG-UHFFFAOYSA-N
XLogP-1.28
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (CID 166945907) is 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is CN1CCC(N2CCN(C(=O)CN3CCN(N)CC3)CC2)CC1.
What is the InChIKey of 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is AASKXNYIHWIWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6O/c1-18-4-2-15(3-5-18)20-8-10-21(11-9-20)16(23)14-19-6-12-22(17)13-7-19/h15H,2-14,17H2,1H3.
What are the key properties of 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 324.47 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 166945907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).