2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

C26H37N5O — CID 30863495

IUPAC2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)c(C)c2)CC1
InChIInChI=1S/C26H37N5O/c1-3-28-15-17-31(18-16-28)24-9-10-25(22(2)19-24)27-26(32)21-30-13-11-29(12-14-30)20-23-7-5-4-6-8-23/h4-10,19H,3,11-18,20-21H2,1-2H3,(H,27,32)
InChIKeyDBSPAKXGNGMJDD-UHFFFAOYSA-N
MW435.62 g/mol
LogP2.89
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide (PubChem CID 30863495) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
PubChem CID30863495
Molecular FormulaC26H37N5O
Molecular Weight435.62 g/mol
Exact Mass435.30
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)c(C)c2)CC1
InChIInChI=1S/C26H37N5O/c1-3-28-15-17-31(18-16-28)24-9-10-25(22(2)19-24)27-26(32)21-30-13-11-29(12-14-30)20-23-7-5-4-6-8-23/h4-10,19H,3,11-18,20-21H2,1-2H3,(H,27,32)
InChIKeyDBSPAKXGNGMJDD-UHFFFAOYSA-N
XLogP2.89
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 52.89
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-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
CID 102603576
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide
CID 56515304
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-fluorophenyl)acetamide
CID 24571040
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
CID 37321688
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24571057
N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 5007859
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 34193676
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570264
N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 22198769

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide (CID 30863495) is 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide is CCN1CCN(c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)c(C)c2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
The InChIKey is DBSPAKXGNGMJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O/c1-3-28-15-17-31(18-16-28)24-9-10-25(22(2)19-24)27-26(32)21-30-13-11-29(12-14-30)20-23-7-5-4-6-8-23/h4-10,19H,3,11-18,20-21H2,1-2H3,(H,27,32).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide has a molecular weight of 435.62 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 30863495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).