(4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one

C22H25NO2 — CID 11759472

IUPAC(4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one
SMILESO=C1CCC[C@]2(CCCc3ccccc32)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C22H25NO2/c24-16-20(18-9-2-1-3-10-18)23-21(25)13-7-15-22(23)14-6-11-17-8-4-5-12-19(17)22/h1-5,8-10,12,20,24H,6-7,11,13-16H2/t20-,22-/m0/s1
InChIKeyZSYBGMJZQVBTSW-UNMCSNQZSA-N
MW335.45 g/mol
LogP3.96
Rot. Bonds3

About (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one

(4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one (PubChem CID 11759472) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one.

Molecular Properties

Compound Name(4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one
PubChem CID11759472
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one
SMILESO=C1CCC[C@]2(CCCc3ccccc32)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C22H25NO2/c24-16-20(18-9-2-1-3-10-18)23-21(25)13-7-15-22(23)14-6-11-17-8-4-5-12-19(17)22/h1-5,8-10,12,20,24H,6-7,11,13-16H2/t20-,22-/m0/s1
InChIKeyZSYBGMJZQVBTSW-UNMCSNQZSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one?
The IUPAC name of (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one (CID 11759472) is (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one.
What is the SMILES notation for (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one?
The canonical SMILES for (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one is O=C1CCC[C@]2(CCCc3ccccc32)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one?
The InChIKey is ZSYBGMJZQVBTSW-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H25NO2/c24-16-20(18-9-2-1-3-10-18)23-21(25)13-7-15-22(23)14-6-11-17-8-4-5-12-19(17)22/h1-5,8-10,12,20,24H,6-7,11,13-16H2/t20-,22-/m0/s1.
What are the key properties of (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one?
(4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one has a molecular weight of 335.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-[(1R)-2-hydroxy-1-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,6'-piperidine]-2'-one is sourced from PubChem (CID 11759472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).