3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide

C23H31N3O2 — CID 42224410

IUPAC3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-28-22-11-8-20(9-12-22)10-13-23(27)24-14-5-15-25-16-18-26(19-17-25)21-6-3-2-4-7-21/h2-4,6-9,11-12H,5,10,13-19H2,1H3,(H,24,27)
InChIKeyXQXBAGJEMCCPQM-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.96
Rot. Bonds9

About 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide

3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 42224410) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID42224410
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-28-22-11-8-20(9-12-22)10-13-23(27)24-14-5-15-25-16-18-26(19-17-25)21-6-3-2-4-7-21/h2-4,6-9,11-12H,5,10,13-19H2,1H3,(H,24,27)
InChIKeyXQXBAGJEMCCPQM-UHFFFAOYSA-N
XLogP2.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109025748
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025749
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
1-[2-(4-fluorophenyl)ethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 39977337
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 42224410) is 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide is COc1ccc(CCC(=O)NCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is XQXBAGJEMCCPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-28-22-11-8-20(9-12-22)10-13-23(27)24-14-5-15-25-16-18-26(19-17-25)21-6-3-2-4-7-21/h2-4,6-9,11-12H,5,10,13-19H2,1H3,(H,24,27).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 42224410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).