N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide

C24H33N3O3 — CID 55997633

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H33N3O3/c1-29-18-19-30-23-11-6-5-10-22(23)24(28)25-12-7-13-26-14-16-27(17-15-26)20-21-8-3-2-4-9-21/h2-6,8-11H,7,12-20H2,1H3,(H,25,28)
InChIKeyNPOQZXKPVSUFJZ-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.65
Rot. Bonds11

About N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide (PubChem CID 55997633) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide
PubChem CID55997633
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H33N3O3/c1-29-18-19-30-23-11-6-5-10-22(23)24(28)25-12-7-13-26-14-16-27(17-15-26)20-21-8-3-2-4-9-21/h2-6,8-11H,7,12-20H2,1H3,(H,25,28)
InChIKeyNPOQZXKPVSUFJZ-UHFFFAOYSA-N
XLogP2.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55634046
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-nitrobenzamide
CID 55634194
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55634096
1-[4-(4-benzylpiperazin-1-yl)butyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110975661
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 55633974
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
N-[3-(4-benzylpiperazin-1-yl)propyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78866653

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide (CID 55997633) is N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide is COCCOc1ccccc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide?
The InChIKey is NPOQZXKPVSUFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-29-18-19-30-23-11-6-5-10-22(23)24(28)25-12-7-13-26-14-16-27(17-15-26)20-21-8-3-2-4-9-21/h2-6,8-11H,7,12-20H2,1H3,(H,25,28).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide has a molecular weight of 411.55 g/mol, XLogP of 2.65, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 55997633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).