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

C20H23N3O3 — CID 3142183

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(24)22-11-13-23(14-12-22)17-9-7-16(8-10-17)21-20(25)18-5-3-4-6-19(18)26-2/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyBEVFTGQVINVJRD-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.62
Rot. Bonds4

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

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide (PubChem CID 3142183) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide
PubChem CID3142183
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(24)22-11-13-23(14-12-22)17-9-7-16(8-10-17)21-20(25)18-5-3-4-6-19(18)26-2/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyBEVFTGQVINVJRD-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide (CID 3142183) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
The InChIKey is BEVFTGQVINVJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)22-11-13-23(14-12-22)17-9-7-16(8-10-17)21-20(25)18-5-3-4-6-19(18)26-2/h3-10H,11-14H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 3142183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).