3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide

C21H26FN3O — CID 109020961

IUPAC3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESO=C(CCNCc1ccccc1F)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H26FN3O/c22-20-7-3-2-6-17(20)16-23-13-12-21(26)24-18-8-10-19(11-9-18)25-14-4-1-5-15-25/h2-3,6-11,23H,1,4-5,12-16H2,(H,24,26)
InChIKeyIKBCDGSSLAPKBA-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.93
Rot. Bonds7

About 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide

3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 109020961) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID109020961
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESO=C(CCNCc1ccccc1F)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H26FN3O/c22-20-7-3-2-6-17(20)16-23-13-12-21(26)24-18-8-10-19(11-9-18)25-14-4-1-5-15-25/h2-3,6-11,23H,1,4-5,12-16H2,(H,24,26)
InChIKeyIKBCDGSSLAPKBA-UHFFFAOYSA-N
XLogP3.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
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
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020959

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide (CID 109020961) is 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide is O=C(CCNCc1ccccc1F)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is IKBCDGSSLAPKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-20-7-3-2-6-17(20)16-23-13-12-21(26)24-18-8-10-19(11-9-18)25-14-4-1-5-15-25/h2-3,6-11,23H,1,4-5,12-16H2,(H,24,26).
What are the key properties of 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide?
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109020961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).