N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide

C22H29N3O — CID 39985544

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c26-22(12-11-20-7-3-1-4-8-20)23-13-14-24-15-17-25(18-16-24)19-21-9-5-2-6-10-21/h1-10H,11-19H2,(H,23,26)
InChIKeyAOPIAAUOEDMPSI-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide (PubChem CID 39985544) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
PubChem CID39985544
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c26-22(12-11-20-7-3-1-4-8-20)23-13-14-24-15-17-25(18-16-24)19-21-9-5-2-6-10-21/h1-10H,11-19H2,(H,23,26)
InChIKeyAOPIAAUOEDMPSI-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide 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-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 39963411
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39301978
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 39302579
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 39302925
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 39302121
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894
1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide
CID 123375850

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide (CID 39985544) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide?
The InChIKey is AOPIAAUOEDMPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c26-22(12-11-20-7-3-1-4-8-20)23-13-14-24-15-17-25(18-16-24)19-21-9-5-2-6-10-21/h1-10H,11-19H2,(H,23,26).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 39985544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).