4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C19H23N3O2 — CID 3154679

IUPAC4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-21-11-13-22(14-12-21)17-7-5-16(6-8-17)20-19(23)15-3-9-18(24-2)10-4-15/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyAJVSSGNKSYTTHY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.70
Rot. Bonds4

About 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 3154679) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID3154679
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-21-11-13-22(14-12-21)17-7-5-16(6-8-17)20-19(23)15-3-9-18(24-2)10-4-15/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyAJVSSGNKSYTTHY-UHFFFAOYSA-N
XLogP2.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.70
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 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 3154679) is 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is AJVSSGNKSYTTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-11-13-22(14-12-21)17-7-5-16(6-8-17)20-19(23)15-3-9-18(24-2)10-4-15/h3-10H,11-14H2,1-2H3,(H,20,23).
What are the key properties of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 3154679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).