3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide

C20H22F3N3O — CID 109041851

IUPAC3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCNc1ccc(N2CCCCC2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H22F3N3O/c21-16-8-9-17(20(23)19(16)22)25-18(27)10-11-24-14-4-6-15(7-5-14)26-12-2-1-3-13-26/h4-9,24H,1-3,10-13H2,(H,25,27)
InChIKeyPASGBAJTMCIYEP-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.53
Rot. Bonds6

About 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide

3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 109041851) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID109041851
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCNc1ccc(N2CCCCC2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H22F3N3O/c21-16-8-9-17(20(23)19(16)22)25-18(27)10-11-24-14-4-6-15(7-5-14)26-12-2-1-3-13-26/h4-9,24H,1-3,10-13H2,(H,25,27)
InChIKeyPASGBAJTMCIYEP-UHFFFAOYSA-N
XLogP4.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.53
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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108956501
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838
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-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108527759
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
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-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 109041851) is 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide is O=C(CCNc1ccc(N2CCCCC2)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is PASGBAJTMCIYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c21-16-8-9-17(20(23)19(16)22)25-18(27)10-11-24-14-4-6-15(7-5-14)26-12-2-1-3-13-26/h4-9,24H,1-3,10-13H2,(H,25,27).
What are the key properties of 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide?
3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 377.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 109041851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).