3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C20H25N3O3 — CID 1086052

IUPAC3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-22-10-12-23(13-11-22)17-7-5-16(6-8-17)21-20(24)15-4-9-18(25-2)19(14-15)26-3/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyAPEUHPWMTXWDRJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.71
Rot. Bonds5

About 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1086052) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID1086052
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-22-10-12-23(13-11-22)17-7-5-16(6-8-17)21-20(24)15-4-9-18(25-2)19(14-15)26-3/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyAPEUHPWMTXWDRJ-UHFFFAOYSA-N
XLogP2.71
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 1086052) is 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is APEUHPWMTXWDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22-10-12-23(13-11-22)17-7-5-16(6-8-17)21-20(24)15-4-9-18(25-2)19(14-15)26-3/h4-9,14H,10-13H2,1-3H3,(H,21,24).
What are the key properties of 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1086052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).