1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one

C25H20N2O3 — CID 4593769

IUPAC1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c21
InChIInChI=1S/C25H20N2O3/c28-23-20-10-5-4-9-18(20)19-11-6-12-21(22(19)23)25(30)27-15-13-26(14-16-27)24(29)17-7-2-1-3-8-17/h1-12H,13-16H2
InChIKeyGLTUVBDNNAOPQF-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.50
Rot. Bonds2

About 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one

1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one (PubChem CID 4593769) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one.

Molecular Properties

Compound Name1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one
PubChem CID4593769
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c21
InChIInChI=1S/C25H20N2O3/c28-23-20-10-5-4-9-18(20)19-11-6-12-21(22(19)23)25(30)27-15-13-26(14-16-27)24(29)17-7-2-1-3-8-17/h1-12H,13-16H2
InChIKeyGLTUVBDNNAOPQF-UHFFFAOYSA-N
XLogP3.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one?
The IUPAC name of 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one (CID 4593769) is 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one.
What is the SMILES notation for 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one?
The canonical SMILES for 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one is O=C1c2ccccc2-c2cccc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c21.
What is the InChIKey of 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one?
The InChIKey is GLTUVBDNNAOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c28-23-20-10-5-4-9-18(20)19-11-6-12-21(22(19)23)25(30)27-15-13-26(14-16-27)24(29)17-7-2-1-3-8-17/h1-12H,13-16H2.
What are the key properties of 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one?
1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one has a molecular weight of 396.45 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazine-1-carbonyl)fluoren-9-one is sourced from PubChem (CID 4593769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).