N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide

C25H25N3O3 — CID 2083572

IUPACN-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H25N3O3/c1-31-21-11-7-10-20(18-21)24(29)26-22-12-5-6-13-23(22)27-14-16-28(17-15-27)25(30)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3,(H,26,29)
InChIKeyCQHPDBCFVZZVCX-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 2083572) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide
PubChem CID2083572
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H25N3O3/c1-31-21-11-7-10-20(18-21)24(29)26-22-12-5-6-13-23(22)27-14-16-28(17-15-27)25(30)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3,(H,26,29)
InChIKeyCQHPDBCFVZZVCX-UHFFFAOYSA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide (CID 2083572) is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is CQHPDBCFVZZVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-31-21-11-7-10-20(18-21)24(29)26-22-12-5-6-13-23(22)27-14-16-28(17-15-27)25(30)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide?
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide has a molecular weight of 415.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 2083572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).