N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

C21H27N3O2 — CID 109018803

IUPACN-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(CCC(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-7-19(8-10-20)24-15-13-23(14-16-24)12-11-21(25)22-17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyOSAWTKUYYCXEGF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.52
Rot. Bonds7

About N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 109018803) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID109018803
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(CCC(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-7-19(8-10-20)24-15-13-23(14-16-24)12-11-21(25)22-17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyOSAWTKUYYCXEGF-UHFFFAOYSA-N
XLogP2.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109025748
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109025259
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025749
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42858729
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46162299

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (CID 109018803) is N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(N2CCN(CCC(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is OSAWTKUYYCXEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-20-9-7-19(8-10-20)24-15-13-23(14-16-24)12-11-21(25)22-17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25).
What are the key properties of N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109018803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).