3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide

C22H26F2N2O — CID 23723922

IUPAC3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ccccc1F)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H26F2N2O/c1-25(22(27)13-12-17-7-2-4-10-20(17)23)19-9-6-14-26(16-19)15-18-8-3-5-11-21(18)24/h2-5,7-8,10-11,19H,6,9,12-16H2,1H3
InChIKeyCPLVXFHYFIZRRU-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.02
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide

3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide (PubChem CID 23723922) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide
PubChem CID23723922
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC Name3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ccccc1F)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C22H26F2N2O/c1-25(22(27)13-12-17-7-2-4-10-20(17)23)19-9-6-14-26(16-19)15-18-8-3-5-11-21(18)24/h2-5,7-8,10-11,19H,6,9,12-16H2,1H3
InChIKeyCPLVXFHYFIZRRU-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide (CID 23723922) is 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide is CN(C(=O)CCc1ccccc1F)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide?
The InChIKey is CPLVXFHYFIZRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c1-25(22(27)13-12-17-7-2-4-10-20(17)23)19-9-6-14-26(16-19)15-18-8-3-5-11-21(18)24/h2-5,7-8,10-11,19H,6,9,12-16H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide?
3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide has a molecular weight of 372.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 23723922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).