N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

C19H23N3O — CID 18158969

IUPACN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-15-14-17(22-12-10-21(2)11-13-22)8-9-18(15)20-19(23)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyFHHPBKYVTSPKGC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.00
Rot. Bonds3

About N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 18158969) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID18158969
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-15-14-17(22-12-10-21(2)11-13-22)8-9-18(15)20-19(23)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyFHHPBKYVTSPKGC-UHFFFAOYSA-N
XLogP3.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504
1-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
CID 46669244
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18127986
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4787079
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-phenyltriazole-4-carboxamide
CID 18189625
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
4-chloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18127990
6-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18127997
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
CID 26711987
2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 18158969) is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is FHHPBKYVTSPKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-14-17(22-12-10-21(2)11-13-22)8-9-18(15)20-19(23)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 18158969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).