3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide

C21H27N3O — CID 109034292

IUPAC3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H27N3O/c1-17-6-5-7-19(16-17)22-13-12-21(25)23-18-8-10-20(11-9-18)24-14-3-2-4-15-24/h5-11,16,22H,2-4,12-15H2,1H3,(H,23,25)
InChIKeyXQAUBTDOOYWWNB-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.43
Rot. Bonds6

About 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide

3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 109034292) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID109034292
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1cccc(NCCC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H27N3O/c1-17-6-5-7-19(16-17)22-13-12-21(25)23-18-8-10-20(11-9-18)24-14-3-2-4-15-24/h5-11,16,22H,2-4,12-15H2,1H3,(H,23,25)
InChIKeyXQAUBTDOOYWWNB-UHFFFAOYSA-N
XLogP4.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.43
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

N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
methyl 3-[[3-oxo-3-(4-pyrrolidin-1-ylanilino)propyl]amino]benzoate
CID 109041429
3-(3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041774
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572
3-(2,3-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109036061
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide (CID 109034292) is 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide is Cc1cccc(NCCC(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is XQAUBTDOOYWWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17-6-5-7-19(16-17)22-13-12-21(25)23-18-8-10-20(11-9-18)24-14-3-2-4-15-24/h5-11,16,22H,2-4,12-15H2,1H3,(H,23,25).
What are the key properties of 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109034292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).