4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide

C25H28N4O — CID 139916941

IUPAC4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H28N4O/c1-27(25(30)21-11-13-22(26)14-12-21)23-9-5-6-10-24(23)29-17-15-28(16-18-29)19-20-7-3-2-4-8-20/h2-14H,15-19,26H2,1H3
InChIKeyBSCWTLUTOLAWRJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.87
Rot. Bonds5

About 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide

4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide (PubChem CID 139916941) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide
PubChem CID139916941
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H28N4O/c1-27(25(30)21-11-13-22(26)14-12-21)23-9-5-6-10-24(23)29-17-15-28(16-18-29)19-20-7-3-2-4-8-20/h2-14H,15-19,26H2,1H3
InChIKeyBSCWTLUTOLAWRJ-UHFFFAOYSA-N
XLogP3.87
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(4-benzylpiperazin-1-yl)ethanone;trihydrochloride
CID 86606198
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109261095
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
3-(4-benzylpiperazin-1-yl)-4-chlorobenzoic acid
CID 110452600
3-amino-4-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)benzamide
CID 100633265
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
4-aminobenzoic acid;1-benzyl-3-ethyl-2H-benzotriazole
CID 174735299
4-(4-benzyl-1,4-diazepan-1-yl)aniline
CID 28809122
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide
CID 46043371

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide?
The IUPAC name of 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide (CID 139916941) is 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide is CN(C(=O)c1ccc(N)cc1)c1ccccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide?
The InChIKey is BSCWTLUTOLAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-27(25(30)21-11-13-22(26)14-12-21)23-9-5-6-10-24(23)29-17-15-28(16-18-29)19-20-7-3-2-4-8-20/h2-14H,15-19,26H2,1H3.
What are the key properties of 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide?
4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide has a molecular weight of 400.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-benzylpiperazin-1-yl)phenyl]-N-methylbenzamide is sourced from PubChem (CID 139916941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).