2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide

C14H16F4N2O — CID 103731896

IUPAC2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(F)(F)C(F)F
InChIInChI=1S/C14H16F4N2O/c15-12(16)14(17,18)13(21)19-10-4-6-11(7-5-10)20-8-2-1-3-9-20/h4-7,12H,1-3,8-9H2,(H,19,21)
InChIKeyZBGNZNAKTKETRM-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.52
Rot. Bonds4

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

2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 103731896) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID103731896
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(F)(F)C(F)F
InChIInChI=1S/C14H16F4N2O/c15-12(16)14(17,18)13(21)19-10-4-6-11(7-5-10)20-8-2-1-3-9-20/h4-7,12H,1-3,8-9H2,(H,19,21)
InChIKeyZBGNZNAKTKETRM-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 2992974
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62847063
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
2,2-dichloro-N-(4-piperidin-1-ylphenyl)acetamide
CID 1480241
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
CID 63180115
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide (CID 103731896) is 2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide is O=C(Nc1ccc(N2CCCCC2)cc1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is ZBGNZNAKTKETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-12(16)14(17,18)13(21)19-10-4-6-11(7-5-10)20-8-2-1-3-9-20/h4-7,12H,1-3,8-9H2,(H,19,21).
What are the key properties of 2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide?
2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 304.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 103731896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).