2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C23H30N4O2 — CID 18124603

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1
InChIInChI=1S/C23H30N4O2/c1-19-3-2-4-22(17-19)26-11-9-25(10-12-26)18-23(28)24-20-5-7-21(8-6-20)27-13-15-29-16-14-27/h2-8,17H,9-16,18H2,1H3,(H,24,28)
InChIKeyPMBURYLUBAGEHI-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.59
Rot. Bonds5

About 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 18124603) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID18124603
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1
InChIInChI=1S/C23H30N4O2/c1-19-3-2-4-22(17-19)26-11-9-25(10-12-26)18-23(28)24-20-5-7-21(8-6-20)27-13-15-29-16-14-27/h2-8,17H,9-16,18H2,1H3,(H,24,28)
InChIKeyPMBURYLUBAGEHI-UHFFFAOYSA-N
XLogP2.59
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 131897568
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8591268
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735668

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 18124603) is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1cccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is PMBURYLUBAGEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-19-3-2-4-22(17-19)26-11-9-25(10-12-26)18-23(28)24-20-5-7-21(8-6-20)27-13-15-29-16-14-27/h2-8,17H,9-16,18H2,1H3,(H,24,28).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 18124603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).