N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

C22H26N4O3 — CID 6235849

IUPACN-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26N4O3/c1-18(22(27)23-20-9-11-21(12-10-20)26(28)29)25-16-14-24(15-17-25)13-5-8-19-6-3-2-4-7-19/h2-12,18H,13-17H2,1H3,(H,23,27)/b8-5+
InChIKeyFHTFOSIFQLXYNN-VMPITWQZSA-N
MW394.48 g/mol
LogP3.25
Rot. Bonds7

About N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 6235849) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID6235849
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26N4O3/c1-18(22(27)23-20-9-11-21(12-10-20)26(28)29)25-16-14-24(15-17-25)13-5-8-19-6-3-2-4-7-19/h2-12,18H,13-17H2,1H3,(H,23,27)/b8-5+
InChIKeyFHTFOSIFQLXYNN-VMPITWQZSA-N
XLogP3.25
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 6235849) is N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is FHTFOSIFQLXYNN-VMPITWQZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-18(22(27)23-20-9-11-21(12-10-20)26(28)29)25-16-14-24(15-17-25)13-5-8-19-6-3-2-4-7-19/h2-12,18H,13-17H2,1H3,(H,23,27)/b8-5+.
What are the key properties of N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 6235849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).