4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide

C17H27N3O3 — CID 119392575

IUPAC4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOCCOc1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C17H27N3O3/c1-22-13-14-23-16-5-3-15(4-6-16)17(21)19-7-2-10-20-11-8-18-9-12-20/h3-6,18H,2,7-14H2,1H3,(H,19,21)
InChIKeyTZUHTGVIJIEEGS-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.74
Rot. Bonds9

About 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide

4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119392575) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119392575
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOCCOc1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C17H27N3O3/c1-22-13-14-23-16-5-3-15(4-6-16)17(21)19-7-2-10-20-11-8-18-9-12-20/h3-6,18H,2,7-14H2,1H3,(H,19,21)
InChIKeyTZUHTGVIJIEEGS-UHFFFAOYSA-N
XLogP0.74
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391361
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119393853
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
4-[2-(diethylamino)ethoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119448581
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 119392462
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
4-ethoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119394221
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide (CID 119392575) is 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide is COCCOc1ccc(C(=O)NCCCN2CCNCC2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is TZUHTGVIJIEEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-22-13-14-23-16-5-3-15(4-6-16)17(21)19-7-2-10-20-11-8-18-9-12-20/h3-6,18H,2,7-14H2,1H3,(H,19,21).
What are the key properties of 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 321.42 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119392575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).