N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide

C21H27N3O — CID 109018769

IUPACN-benzyl-3-(4-benzylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C21H27N3O/c25-21(22-17-19-7-3-1-4-8-19)11-12-23-13-15-24(16-14-23)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
InChIKeyQSRMYAXPALIRCU-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.51
Rot. Bonds7

About N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide

N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide (PubChem CID 109018769) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-benzylpiperazin-1-yl)propanamide
PubChem CID109018769
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-benzyl-3-(4-benzylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C21H27N3O/c25-21(22-17-19-7-3-1-4-8-19)11-12-23-13-15-24(16-14-23)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
InChIKeyQSRMYAXPALIRCU-UHFFFAOYSA-N
XLogP2.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-(4-benzylpiperazin-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-benzyl-3-(4-benzylpiperazin-1-yl)propanamide?
The IUPAC name of N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide (CID 109018769) is N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide?
The canonical SMILES for N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide is O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide?
The InChIKey is QSRMYAXPALIRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(22-17-19-7-3-1-4-8-19)11-12-23-13-15-24(16-14-23)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25).
What are the key properties of N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide?
N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109018769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).