N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide

C20H23FN2O2 — CID 45115601

IUPACN-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)N[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23FN2O2/c21-18-10-4-5-11-19(18)25-15-20(24)22-17-9-6-12-23(14-17)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,24)/t17-/m1/s1
InChIKeyYQSTXXIVEKIHFC-QGZVFWFLSA-N
MW342.41 g/mol
LogP2.99
Rot. Bonds6

About N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide

N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 45115601) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID45115601
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)N[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23FN2O2/c21-18-10-4-5-11-19(18)25-15-20(24)22-17-9-6-12-23(14-17)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,24)/t17-/m1/s1
InChIKeyYQSTXXIVEKIHFC-QGZVFWFLSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide (CID 45115601) is N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)N[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is YQSTXXIVEKIHFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-10-4-5-11-19(18)25-15-20(24)22-17-9-6-12-23(14-17)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide?
N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 342.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpiperidin-3-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 45115601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).