1-(4-phenylpiperazin-1-yl)pentane-1,4-dione

C15H20N2O2 — CID 60636215

IUPAC1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
SMILESCC(=O)CCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c1-13(18)7-8-15(19)17-11-9-16(10-12-17)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyUGEHVDOSSMREAA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds4

About 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione

1-(4-phenylpiperazin-1-yl)pentane-1,4-dione (PubChem CID 60636215) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
PubChem CID60636215
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
SMILESCC(=O)CCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c1-13(18)7-8-15(19)17-11-9-16(10-12-17)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyUGEHVDOSSMREAA-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
1-(4-methylsulfonylpiperazin-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 29136351
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
1-(4-phenylpiperazin-1-yl)hex-5-yn-1-one
CID 138529966
1-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 78774986
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione (CID 60636215) is 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione is CC(=O)CCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione?
The InChIKey is UGEHVDOSSMREAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-13(18)7-8-15(19)17-11-9-16(10-12-17)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3.
What are the key properties of 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione?
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione has a molecular weight of 260.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)pentane-1,4-dione is sourced from PubChem (CID 60636215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).