(2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one

C23H26FNO2 — CID 70916524

IUPAC(2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
SMILESCOc1ccc2c(c1)CC[C@@]1(CCCCN1CCc1ccccc1F)C2=O
InChIInChI=1S/C23H26FNO2/c1-27-19-8-9-20-18(16-19)10-13-23(22(20)26)12-4-5-14-25(23)15-11-17-6-2-3-7-21(17)24/h2-3,6-9,16H,4-5,10-15H2,1H3/t23-/m0/s1
InChIKeyLKBHOEDVTWBTBW-QHCPKHFHSA-N
MW367.46 g/mol
LogP4.43
Rot. Bonds4

About (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one

(2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one (PubChem CID 70916524) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one.

Molecular Properties

Compound Name(2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
PubChem CID70916524
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name(2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
SMILESCOc1ccc2c(c1)CC[C@@]1(CCCCN1CCc1ccccc1F)C2=O
InChIInChI=1S/C23H26FNO2/c1-27-19-8-9-20-18(16-19)10-13-23(22(20)26)12-4-5-14-25(23)15-11-17-6-2-3-7-21(17)24/h2-3,6-9,16H,4-5,10-15H2,1H3/t23-/m0/s1
InChIKeyLKBHOEDVTWBTBW-QHCPKHFHSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
The IUPAC name of (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one (CID 70916524) is (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one.
What is the SMILES notation for (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
The canonical SMILES for (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one is COc1ccc2c(c1)CC[C@@]1(CCCCN1CCc1ccccc1F)C2=O.
What is the InChIKey of (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
The InChIKey is LKBHOEDVTWBTBW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-27-19-8-9-20-18(16-19)10-13-23(22(20)26)12-4-5-14-25(23)15-11-17-6-2-3-7-21(17)24/h2-3,6-9,16H,4-5,10-15H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
(2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one has a molecular weight of 367.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one is sourced from PubChem (CID 70916524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).