4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

C16H22ClN5O2 — CID 119393528

IUPAC4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C16H21N5O2.ClH/c22-16(18-6-1-9-21-10-7-17-8-11-21)14-4-2-13(3-5-14)15-19-12-23-20-15;/h2-5,12,17H,1,6-11H2,(H,18,22);1H
InChIKeyBOZPHUPLERSRRQ-UHFFFAOYSA-N
MW351.84 g/mol
LogP1.18
Rot. Bonds6

About 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119393528) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119393528
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NCCCN1CCNCC1)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C16H21N5O2.ClH/c22-16(18-6-1-9-21-10-7-17-8-11-21)14-4-2-13(3-5-14)15-19-12-23-20-15;/h2-5,12,17H,1,6-11H2,(H,18,22);1H
InChIKeyBOZPHUPLERSRRQ-UHFFFAOYSA-N
XLogP1.18
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393529
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
N-(3-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119392015
N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119393853
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391361

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119393528) is 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is Cl.O=C(NCCCN1CCNCC1)c1ccc(-c2ncon2)cc1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is BOZPHUPLERSRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.ClH/c22-16(18-6-1-9-21-10-7-17-8-11-21)14-4-2-13(3-5-14)15-19-12-23-20-15;/h2-5,12,17H,1,6-11H2,(H,18,22);1H.
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 351.84 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119393528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).