N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide

C20H23N3O2 — CID 1132517

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-15-3-5-17(6-4-15)20(25)21-18-7-9-19(10-8-18)23-13-11-22(12-14-23)16(2)24/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyCLFNDGJOFKNWAA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.92
Rot. Bonds3

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

N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide (PubChem CID 1132517) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
PubChem CID1132517
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C20H23N3O2/c1-15-3-5-17(6-4-15)20(25)21-18-7-9-19(10-8-18)23-13-11-22(12-14-23)16(2)24/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyCLFNDGJOFKNWAA-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1056019
3,5-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2947044
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110615118
3-bromo-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2215467
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide (CID 1132517) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide is CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide?
The InChIKey is CLFNDGJOFKNWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-3-5-17(6-4-15)20(25)21-18-7-9-19(10-8-18)23-13-11-22(12-14-23)16(2)24/h3-10H,11-14H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 1132517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).