N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

C21H27N3O2 — CID 1374680

IUPACN-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-4-5-18(14-17(16)2)22-21(25)15-23-10-12-24(13-11-23)19-6-8-20(26-3)9-7-19/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyIPBYOZMASQYRGI-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.07
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 1374680) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID1374680
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-4-5-18(14-17(16)2)22-21(25)15-23-10-12-24(13-11-23)19-6-8-20(26-3)9-7-19/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyIPBYOZMASQYRGI-UHFFFAOYSA-N
XLogP3.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 1374680) is N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(N2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is IPBYOZMASQYRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-4-5-18(14-17(16)2)22-21(25)15-23-10-12-24(13-11-23)19-6-8-20(26-3)9-7-19/h4-9,14H,10-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1374680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).