N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

C23H31N3O3 — CID 109025259

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(CCC(=O)NCCc3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-28-21-9-7-20(8-10-21)26-17-15-25(16-18-26)14-12-23(27)24-13-11-19-5-3-4-6-22(19)29-2/h3-10H,11-18H2,1-2H3,(H,24,27)
InChIKeyLJHKFUUQOOTIOJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.57
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 109025259) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID109025259
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(CCC(=O)NCCc3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-28-21-9-7-20(8-10-21)26-17-15-25(16-18-26)14-12-23(27)24-13-11-19-5-3-4-6-22(19)29-2/h3-10H,11-18H2,1-2H3,(H,24,27)
InChIKeyLJHKFUUQOOTIOJ-UHFFFAOYSA-N
XLogP2.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 42857988
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109025748
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025749
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025241
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
1-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-propylpiperazin-1-yl)phenyl]urea
CID 110620975
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
2-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 78869416
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109025321

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (CID 109025259) is N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(N2CCN(CCC(=O)NCCc3ccccc3OC)CC2)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is LJHKFUUQOOTIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-21-9-7-20(8-10-21)26-17-15-25(16-18-26)14-12-23(27)24-13-11-19-5-3-4-6-22(19)29-2/h3-10H,11-18H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109025259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).