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

C16H21N5O2 — CID 119393529

IUPAC4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C16H21N5O2/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)
InChIKeyMRNFGRWPBGIVLK-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.76
Rot. Bonds6

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

4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119393529) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119393529
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C16H21N5O2/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)
InChIKeyMRNFGRWPBGIVLK-UHFFFAOYSA-N
XLogP0.76
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.76
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;hydrochloride
CID 119393528
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-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
N-(3-piperazin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 119391850
4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391361
N-(3-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119392015
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide (CID 119393529) is 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide is O=C(NCCCN1CCNCC1)c1ccc(-c2ncon2)cc1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is MRNFGRWPBGIVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/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).
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide?
4-(1,2,4-oxadiazol-3-yl)-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 315.38 g/mol, XLogP of 0.76, 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 is sourced from PubChem (CID 119393529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).