N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride

C17H26ClN3O2 — CID 119393853

IUPACN-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-14-22-16-6-4-15(5-7-16)17(21)19-8-3-11-20-12-9-18-10-13-20;/h2,4-7,18H,1,3,8-14H2,(H,19,21);1H
InChIKeyRGHHLXGYJJZPQS-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.70
Rot. Bonds8

About N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride

N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride (PubChem CID 119393853) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride
PubChem CID119393853
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-14-22-16-6-4-15(5-7-16)17(21)19-8-3-11-20-12-9-18-10-13-20;/h2,4-7,18H,1,3,8-14H2,(H,19,21);1H
InChIKeyRGHHLXGYJJZPQS-UHFFFAOYSA-N
XLogP1.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391361
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-(difluoromethylsulfanyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392818
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119393528

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride (CID 119393853) is N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride is C=CCOc1ccc(C(=O)NCCCN2CCNCC2)cc1.Cl.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is RGHHLXGYJJZPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-2-14-22-16-6-4-15(5-7-16)17(21)19-8-3-11-20-12-9-18-10-13-20;/h2,4-7,18H,1,3,8-14H2,(H,19,21);1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride?
N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 119393853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).