N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

C21H23N3O3 — CID 2212364

IUPACN-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c25-21(22-18-8-9-19-20(15-18)27-16-26-19)24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,22,25)/b7-4+
InChIKeySODWWYRQUDPOGO-QPJJXVBHSA-N
MW365.43 g/mol
LogP3.28
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 2212364) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID2212364
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c25-21(22-18-8-9-19-20(15-18)27-16-26-19)24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,22,25)/b7-4+
InChIKeySODWWYRQUDPOGO-QPJJXVBHSA-N
XLogP3.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide 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-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 2212364) is N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is SODWWYRQUDPOGO-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-21(22-18-8-9-19-20(15-18)27-16-26-19)24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,22,25)/b7-4+.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 2212364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).