N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide

C21H24F2N2O — CID 119771660

IUPACN-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C21H24F2N2O/c1-14(16-3-2-10-24-13-16)11-21(26)25-20-9-8-18(23)12-19(20)15-4-6-17(22)7-5-15/h4-9,12,14,16,24H,2-3,10-11,13H2,1H3,(H,25,26)
InChIKeyAGSJTHKDXCETAR-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.60
Rot. Bonds5

About N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide

N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119771660) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119771660
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC NameN-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C21H24F2N2O/c1-14(16-3-2-10-24-13-16)11-21(26)25-20-9-8-18(23)12-19(20)15-4-6-17(22)7-5-15/h4-9,12,14,16,24H,2-3,10-11,13H2,1H3,(H,25,26)
InChIKeyAGSJTHKDXCETAR-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-piperidin-3-ylbutanamide
CID 119778650
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 119316632
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-(3-fluoro-4-pyridinyl)-3-piperidin-3-ylbutanamide
CID 107594934
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide
CID 119816121
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide (CID 119771660) is N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)C1CCCNC1.
What is the InChIKey of N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is AGSJTHKDXCETAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-14(16-3-2-10-24-13-16)11-21(26)25-20-9-8-18(23)12-19(20)15-4-6-17(22)7-5-15/h4-9,12,14,16,24H,2-3,10-11,13H2,1H3,(H,25,26).
What are the key properties of N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide?
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 358.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119771660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).