N-phenyl-3-(4-piperidin-1-ylanilino)propanamide

C20H25N3O — CID 109033849

IUPACN-phenyl-3-(4-piperidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(22-18-7-3-1-4-8-18)13-14-21-17-9-11-19(12-10-17)23-15-5-2-6-16-23/h1,3-4,7-12,21H,2,5-6,13-16H2,(H,22,24)
InChIKeyWFXVVGUDKNZWQH-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.12
Rot. Bonds6

About N-phenyl-3-(4-piperidin-1-ylanilino)propanamide

N-phenyl-3-(4-piperidin-1-ylanilino)propanamide (PubChem CID 109033849) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-phenyl-3-(4-piperidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-phenyl-3-(4-piperidin-1-ylanilino)propanamide
PubChem CID109033849
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-phenyl-3-(4-piperidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(22-18-7-3-1-4-8-18)13-14-21-17-9-11-19(12-10-17)23-15-5-2-6-16-23/h1,3-4,7-12,21H,2,5-6,13-16H2,(H,22,24)
InChIKeyWFXVVGUDKNZWQH-UHFFFAOYSA-N
XLogP4.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.12
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-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
methyl 4-[[3-oxo-3-(4-piperidin-1-ylanilino)propyl]amino]benzoate
CID 109041517
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-piperidin-1-ylanilino)propanamide?
The IUPAC name of N-phenyl-3-(4-piperidin-1-ylanilino)propanamide (CID 109033849) is N-phenyl-3-(4-piperidin-1-ylanilino)propanamide.
What is the SMILES notation for N-phenyl-3-(4-piperidin-1-ylanilino)propanamide?
The canonical SMILES for N-phenyl-3-(4-piperidin-1-ylanilino)propanamide is O=C(CCNc1ccc(N2CCCCC2)cc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-(4-piperidin-1-ylanilino)propanamide?
The InChIKey is WFXVVGUDKNZWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(22-18-7-3-1-4-8-18)13-14-21-17-9-11-19(12-10-17)23-15-5-2-6-16-23/h1,3-4,7-12,21H,2,5-6,13-16H2,(H,22,24).
What are the key properties of N-phenyl-3-(4-piperidin-1-ylanilino)propanamide?
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide has a molecular weight of 323.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-piperidin-1-ylanilino)propanamide is sourced from PubChem (CID 109033849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).