1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione

C13H24N2O2 — CID 65416769

IUPAC1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
SMILESCC(=O)CCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-11(16)5-6-12(17)14-7-9-15(10-8-14)13(2,3)4/h5-10H2,1-4H3
InChIKeyGEHJQSXCBDCPAU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.30
Rot. Bonds3

About 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione

1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione (PubChem CID 65416769) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
PubChem CID65416769
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
SMILESCC(=O)CCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-11(16)5-6-12(17)14-7-9-15(10-8-14)13(2,3)4/h5-10H2,1-4H3
InChIKeyGEHJQSXCBDCPAU-UHFFFAOYSA-N
XLogP1.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one
CID 79191284
1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one
CID 126654356
1-(4-tert-butylpiperazin-1-yl)-5-chloropentan-1-one
CID 61430483
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 61430295
2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 63680684
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118
1-[4-(2-ethylbutanoyl)piperazin-1-yl]pentane-1,4-dione
CID 108536740
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
1-(4-tert-butylpiperazin-1-yl)-2-(oxan-4-yl)ethanone
CID 129268223
2-methyl-2-(4-pentanoylpiperazin-1-yl)propanethioamide
CID 63343731

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione (CID 65416769) is 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione is CC(=O)CCC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione?
The InChIKey is GEHJQSXCBDCPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(16)5-6-12(17)14-7-9-15(10-8-14)13(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione?
1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione has a molecular weight of 240.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione is sourced from PubChem (CID 65416769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).