N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide

C21H25N7O — CID 33134269

IUPACN-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C21H25N7O/c29-21(18-6-4-9-20(16-18)28-17-23-24-25-28)22-10-5-11-26-12-14-27(15-13-26)19-7-2-1-3-8-19/h1-4,6-9,16-17H,5,10-15H2,(H,22,29)
InChIKeyIBKRQOUXDBJBQU-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.60
Rot. Bonds7

About N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide

N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 33134269) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
PubChem CID33134269
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C21H25N7O/c29-21(18-6-4-9-20(16-18)28-17-23-24-25-28)22-10-5-11-26-12-14-27(15-13-26)19-7-2-1-3-8-19/h1-4,6-9,16-17H,5,10-15H2,(H,22,29)
InChIKeyIBKRQOUXDBJBQU-UHFFFAOYSA-N
XLogP1.60
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3-(ethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33134557
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 51222719
3-(benzylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33139651
3-(2-methylsulfanylimidazol-1-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931176
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide (CID 33134269) is N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is IBKRQOUXDBJBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c29-21(18-6-4-9-20(16-18)28-17-23-24-25-28)22-10-5-11-26-12-14-27(15-13-26)19-7-2-1-3-8-19/h1-4,6-9,16-17H,5,10-15H2,(H,22,29).
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide?
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 391.48 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 33134269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).