N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide

C20H23N3O2 — CID 109046134

IUPACN-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-3-9-18(10-4-15)21-19(24)16-5-7-17(8-6-16)20(25)23-13-11-22(2)12-14-23/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyGRFHBJQASMVJRP-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.63
Rot. Bonds3

About N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide

N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109046134) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109046134
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-3-9-18(10-4-15)21-19(24)16-5-7-17(8-6-16)20(25)23-13-11-22(2)12-14-23/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyGRFHBJQASMVJRP-UHFFFAOYSA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94915286
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide (CID 109046134) is N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide is Cc1ccc(NC(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is GRFHBJQASMVJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-3-9-18(10-4-15)21-19(24)16-5-7-17(8-6-16)20(25)23-13-11-22(2)12-14-23/h3-10H,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide?
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109046134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).