1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone

C19H20N2O2 — CID 1245188

IUPAC1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O2/c1-15(22)16-7-9-18(10-8-16)20-11-13-21(14-12-20)19(23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyTUMXZWSARBDFMH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.85
Rot. Bonds3

About 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone

1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone (PubChem CID 1245188) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone
PubChem CID1245188
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O2/c1-15(22)16-7-9-18(10-8-16)20-11-13-21(14-12-20)19(23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyTUMXZWSARBDFMH-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone (CID 1245188) is 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone?
The InChIKey is TUMXZWSARBDFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15(22)16-7-9-18(10-8-16)20-11-13-21(14-12-20)19(23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3.
What are the key properties of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone?
1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone has a molecular weight of 308.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzoylpiperazin-1-yl)phenyl]ethanone is sourced from PubChem (CID 1245188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).