2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C17H34N4O — CID 57442399

IUPAC2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCCCCN1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O/c1-4-5-6-18-7-9-19(10-8-18)15-17(22)21-13-11-20(12-14-21)16(2)3/h16H,4-15H2,1-3H3
InChIKeySOSBWEAPDGSVBC-UHFFFAOYSA-N
MW310.49 g/mol
LogP0.96
Rot. Bonds6

About 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 57442399) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID57442399
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCCCCN1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N4O/c1-4-5-6-18-7-9-19(10-8-18)15-17(22)21-13-11-20(12-14-21)16(2)3/h16H,4-15H2,1-3H3
InChIKeySOSBWEAPDGSVBC-UHFFFAOYSA-N
XLogP0.96
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 57442399) is 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CCCCN1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is SOSBWEAPDGSVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-4-5-6-18-7-9-19(10-8-18)15-17(22)21-13-11-20(12-14-21)16(2)3/h16H,4-15H2,1-3H3.
What are the key properties of 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 310.49 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).