N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C22H26F2N2O — CID 153387671

IUPACN-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CC(F)c2cccc(F)c2)CC1
InChIInChI=1S/C22H26F2N2O/c1-2-22(27)26(19-9-4-3-5-10-19)20-11-13-25(14-12-20)16-21(24)17-7-6-8-18(23)15-17/h3-10,15,20-21H,2,11-14,16H2,1H3
InChIKeyPWYOWTVTNKWSTQ-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.74
Rot. Bonds6

About N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 153387671) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID153387671
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC NameN-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CC(F)c2cccc(F)c2)CC1
InChIInChI=1S/C22H26F2N2O/c1-2-22(27)26(19-9-4-3-5-10-19)20-11-13-25(14-12-20)16-21(24)17-7-6-8-18(23)15-17/h3-10,15,20-21H,2,11-14,16H2,1H3
InChIKeyPWYOWTVTNKWSTQ-UHFFFAOYSA-N
XLogP4.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 153387671) is N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CC(F)c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is PWYOWTVTNKWSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c1-2-22(27)26(19-9-4-3-5-10-19)20-11-13-25(14-12-20)16-21(24)17-7-6-8-18(23)15-17/h3-10,15,20-21H,2,11-14,16H2,1H3.
What are the key properties of N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 372.46 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 153387671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).