2,4-di(piperazin-1-yl)pentan-3-one

C13H26N4O — CID 141275752

IUPAC2,4-di(piperazin-1-yl)pentan-3-one
SMILESCC(C(=O)C(C)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C13H26N4O/c1-11(16-7-3-14-4-8-16)13(18)12(2)17-9-5-15-6-10-17/h11-12,14-15H,3-10H2,1-2H3
InChIKeyHXXHSKYGVGJJOX-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.86
Rot. Bonds4

About 2,4-di(piperazin-1-yl)pentan-3-one

2,4-di(piperazin-1-yl)pentan-3-one (PubChem CID 141275752) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2,4-di(piperazin-1-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-di(piperazin-1-yl)pentan-3-one
PubChem CID141275752
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2,4-di(piperazin-1-yl)pentan-3-one
SMILESCC(C(=O)C(C)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C13H26N4O/c1-11(16-7-3-14-4-8-16)13(18)12(2)17-9-5-15-6-10-17/h11-12,14-15H,3-10H2,1-2H3
InChIKeyHXXHSKYGVGJJOX-UHFFFAOYSA-N
XLogP-0.86
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(piperazin-1-yl)pentan-3-one?
The IUPAC name of 2,4-di(piperazin-1-yl)pentan-3-one (CID 141275752) is 2,4-di(piperazin-1-yl)pentan-3-one.
What is the SMILES notation for 2,4-di(piperazin-1-yl)pentan-3-one?
The canonical SMILES for 2,4-di(piperazin-1-yl)pentan-3-one is CC(C(=O)C(C)N1CCNCC1)N1CCNCC1.
What is the InChIKey of 2,4-di(piperazin-1-yl)pentan-3-one?
The InChIKey is HXXHSKYGVGJJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(16-7-3-14-4-8-16)13(18)12(2)17-9-5-15-6-10-17/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of 2,4-di(piperazin-1-yl)pentan-3-one?
2,4-di(piperazin-1-yl)pentan-3-one has a molecular weight of 254.38 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(piperazin-1-yl)pentan-3-one is sourced from PubChem (CID 141275752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).