(4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C20H21N5O — CID 169326396

IUPAC(4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILES[N-]=[N+]=Nc1ccc(C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21N5O/c21-23-22-19-10-8-18(9-11-19)20(26)25-15-13-24(14-16-25)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2
InChIKeyZTTUPSJEFHNTQI-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.10
Rot. Bonds5

About (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

(4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 169326396) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID169326396
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILES[N-]=[N+]=Nc1ccc(C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21N5O/c21-23-22-19-10-8-18(9-11-19)20(26)25-15-13-24(14-16-25)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2
InChIKeyZTTUPSJEFHNTQI-UHFFFAOYSA-N
XLogP4.10
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295151
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043130
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
furan-3-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 18104739
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 17200401

Frequently Asked Questions

What is the IUPAC name of (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 169326396) is (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is [N-]=[N+]=Nc1ccc(C(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1.
What is the InChIKey of (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is ZTTUPSJEFHNTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-23-22-19-10-8-18(9-11-19)20(26)25-15-13-24(14-16-25)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2.
What are the key properties of (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
(4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 169326396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).