N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide

C22H25F3N2O — CID 146167149

IUPACN-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CC(F)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H25F3N2O/c1-2-22(28)27(17-6-4-3-5-7-17)18-10-12-26(13-11-18)15-21(25)19-9-8-16(23)14-20(19)24/h3-9,14,18,21H,2,10-13,15H2,1H3
InChIKeyFJXRHQMYUOVNNB-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.88
Rot. Bonds6

About N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 146167149) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID146167149
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CC(F)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H25F3N2O/c1-2-22(28)27(17-6-4-3-5-7-17)18-10-12-26(13-11-18)15-21(25)19-9-8-16(23)14-20(19)24/h3-9,14,18,21H,2,10-13,15H2,1H3
InChIKeyFJXRHQMYUOVNNB-UHFFFAOYSA-N
XLogP4.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide (CID 146167149) is N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CC(F)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is FJXRHQMYUOVNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c1-2-22(28)27(17-6-4-3-5-7-17)18-10-12-26(13-11-18)15-21(25)19-9-8-16(23)14-20(19)24/h3-9,14,18,21H,2,10-13,15H2,1H3.
What are the key properties of N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 390.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 146167149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).