3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide

C22H29N3O — CID 109036225

IUPAC3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCc1ccccc1NCCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O/c1-2-18-8-4-5-9-21(18)23-15-14-22(26)24-19-10-12-20(13-11-19)25-16-6-3-7-17-25/h4-5,8-13,23H,2-3,6-7,14-17H2,1H3,(H,24,26)
InChIKeyZVMJIUGIOBNEHU-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.68
Rot. Bonds7

About 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide

3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 109036225) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID109036225
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCc1ccccc1NCCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O/c1-2-18-8-4-5-9-21(18)23-15-14-22(26)24-19-10-12-20(13-11-19)25-16-6-3-7-17-25/h4-5,8-13,23H,2-3,6-7,14-17H2,1H3,(H,24,26)
InChIKeyZVMJIUGIOBNEHU-UHFFFAOYSA-N
XLogP4.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-(2,3-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109036061
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide (CID 109036225) is 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide is CCc1ccccc1NCCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is ZVMJIUGIOBNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-18-8-4-5-9-21(18)23-15-14-22(26)24-19-10-12-20(13-11-19)25-16-6-3-7-17-25/h4-5,8-13,23H,2-3,6-7,14-17H2,1H3,(H,24,26).
What are the key properties of 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109036225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).