methyl 2-(4-benzoylpiperazin-1-yl)benzoate

C19H20N2O3 — CID 113078358

IUPACmethyl 2-(4-benzoylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N2O3/c1-24-19(23)16-9-5-6-10-17(16)20-11-13-21(14-12-20)18(22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyMGWBIWOSMHDMPS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.44
Rot. Bonds3

About methyl 2-(4-benzoylpiperazin-1-yl)benzoate

methyl 2-(4-benzoylpiperazin-1-yl)benzoate (PubChem CID 113078358) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-(4-benzoylpiperazin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-benzoylpiperazin-1-yl)benzoate
PubChem CID113078358
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 2-(4-benzoylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N2O3/c1-24-19(23)16-9-5-6-10-17(16)20-11-13-21(14-12-20)18(22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyMGWBIWOSMHDMPS-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-phenylacetyl)piperazin-1-yl]benzoate
CID 113078376
methyl 2-(4-benzoylpiperazin-1-yl)-5-sulfamoylbenzoate
CID 55534420
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
methyl 2-[4-(tert-butylcarbamoyl)piperazin-1-yl]benzoate
CID 113110433
methyl 3-(4-benzoylpiperazin-1-yl)-4,5-dimethylbenzoate
CID 132548762
methyl 2-(4-ethylpiperazin-1-yl)benzoate
CID 99973041
ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080740
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
CID 113080742
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113008
methyl 4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzoate
CID 27824973

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-benzoylpiperazin-1-yl)benzoate?
The IUPAC name of methyl 2-(4-benzoylpiperazin-1-yl)benzoate (CID 113078358) is methyl 2-(4-benzoylpiperazin-1-yl)benzoate.
What is the SMILES notation for methyl 2-(4-benzoylpiperazin-1-yl)benzoate?
The canonical SMILES for methyl 2-(4-benzoylpiperazin-1-yl)benzoate is COC(=O)c1ccccc1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of methyl 2-(4-benzoylpiperazin-1-yl)benzoate?
The InChIKey is MGWBIWOSMHDMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-19(23)16-9-5-6-10-17(16)20-11-13-21(14-12-20)18(22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of methyl 2-(4-benzoylpiperazin-1-yl)benzoate?
methyl 2-(4-benzoylpiperazin-1-yl)benzoate has a molecular weight of 324.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-benzoylpiperazin-1-yl)benzoate is sourced from PubChem (CID 113078358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).