N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

C21H25N3O2 — CID 2955257

IUPACN-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3ccc(C)cc3)C(C)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-4-10-20(11-5-15)24-13-12-23(14-16(24)2)21(26)22-19-8-6-18(7-9-19)17(3)25/h4-11,16H,12-14H2,1-3H3,(H,22,26)
InChIKeyVYBPQWXSCMCXGK-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.94
Rot. Bonds3

About N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 2955257) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID2955257
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3ccc(C)cc3)C(C)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-4-10-20(11-5-15)24-13-12-23(14-16(24)2)21(26)22-19-8-6-18(7-9-19)17(3)25/h4-11,16H,12-14H2,1-3H3,(H,22,26)
InChIKeyVYBPQWXSCMCXGK-UHFFFAOYSA-N
XLogP3.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide (CID 2955257) is N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(c3ccc(C)cc3)C(C)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is VYBPQWXSCMCXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-4-10-20(11-5-15)24-13-12-23(14-16(24)2)21(26)22-19-8-6-18(7-9-19)17(3)25/h4-11,16H,12-14H2,1-3H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2955257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).