1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione

C26H34N4O2 — CID 2933488

IUPAC1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
SMILESO=C(CCCCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H34N4O2/c31-25(29-19-15-27(16-20-29)23-9-3-1-4-10-23)13-7-8-14-26(32)30-21-17-28(18-22-30)24-11-5-2-6-12-24/h1-6,9-12H,7-8,13-22H2
InChIKeyGAPUQWVSPPGFPQ-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.24
Rot. Bonds7

About 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione

1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione (PubChem CID 2933488) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione.

Molecular Properties

Compound Name1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
PubChem CID2933488
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
SMILESO=C(CCCCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H34N4O2/c31-25(29-19-15-27(16-20-29)23-9-3-1-4-10-23)13-7-8-14-26(32)30-21-17-28(18-22-30)24-11-5-2-6-12-24/h1-6,9-12H,7-8,13-22H2
InChIKeyGAPUQWVSPPGFPQ-UHFFFAOYSA-N
XLogP3.24
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
1-(4-phenylpiperazin-1-yl)hex-5-yn-1-one
CID 138529966
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823
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
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
1-(4-methylsulfonylpiperazin-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 29136351
5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid
CID 2051581

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione?
The IUPAC name of 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione (CID 2933488) is 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione.
What is the SMILES notation for 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione?
The canonical SMILES for 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione is O=C(CCCCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione?
The InChIKey is GAPUQWVSPPGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c31-25(29-19-15-27(16-20-29)23-9-3-1-4-10-23)13-7-8-14-26(32)30-21-17-28(18-22-30)24-11-5-2-6-12-24/h1-6,9-12H,7-8,13-22H2.
What are the key properties of 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione?
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione has a molecular weight of 434.58 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione is sourced from PubChem (CID 2933488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).