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

C23H31N3O3 — CID 110288167

IUPACN-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOCCN1CCN(c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C23H31N3O3/c1-28-18-17-25-13-15-26(16-14-25)21-8-6-20(7-9-21)24-23(27)12-5-19-3-10-22(29-2)11-4-19/h3-4,6-11H,5,12-18H2,1-2H3,(H,24,27)
InChIKeyXYXVLNUGDWBFML-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.03
Rot. Bonds9

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

N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110288167) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110288167
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOCCN1CCN(c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C23H31N3O3/c1-28-18-17-25-13-15-26(16-14-25)21-8-6-20(7-9-21)24-23(27)12-5-19-3-10-22(29-2)11-4-19/h3-4,6-11H,5,12-18H2,1-2H3,(H,24,27)
InChIKeyXYXVLNUGDWBFML-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637300
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 26689927
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523260
N-[4-[4-[N'-[2,6-dichloro-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]carbamimidoyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 89128063
methyl 4-[3-(4-pyrrolidin-1-ylphenyl)propanoylamino]benzoate
CID 110650646
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide (CID 110288167) is N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide is COCCN1CCN(c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is XYXVLNUGDWBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-18-17-25-13-15-26(16-14-25)21-8-6-20(7-9-21)24-23(27)12-5-19-3-10-22(29-2)11-4-19/h3-4,6-11H,5,12-18H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 397.52 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110288167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).