(2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one

C15H19NO2 — CID 129389972

IUPAC(2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
SMILESCOc1cccc2c1C(=O)[C@]1(CCCCN1)CC2
InChIInChI=1S/C15H19NO2/c1-18-12-6-4-5-11-7-9-15(14(17)13(11)12)8-2-3-10-16-15/h4-6,16H,2-3,7-10H2,1H3/t15-/m0/s1
InChIKeyYQISCFMBRFGVIB-HNNXBMFYSA-N
MW245.32 g/mol
LogP2.34
Rot. Bonds1

About (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one

(2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one (PubChem CID 129389972) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one.

Molecular Properties

Compound Name(2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
PubChem CID129389972
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
SMILESCOc1cccc2c1C(=O)[C@]1(CCCCN1)CC2
InChIInChI=1S/C15H19NO2/c1-18-12-6-4-5-11-7-9-15(14(17)13(11)12)8-2-3-10-16-15/h4-6,16H,2-3,7-10H2,1H3/t15-/m0/s1
InChIKeyYQISCFMBRFGVIB-HNNXBMFYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 19028933
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057450
(4aS,9aR)-4a,9a-dihydroxy-5-methoxy-1,2,3,4-tetrahydroanthracene-9,10-dione
CID 134962885
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]-4-ol
CID 175046084
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281
7-methoxy-2-methyl-3H-isoindol-1-one
CID 84717848
2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70829211
2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19862989
8-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010910
3-(2-methoxyphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 61290839
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one
CID 115097570

Frequently Asked Questions

What is the IUPAC name of (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
The IUPAC name of (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one (CID 129389972) is (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one.
What is the SMILES notation for (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
The canonical SMILES for (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one is COc1cccc2c1C(=O)[C@]1(CCCCN1)CC2.
What is the InChIKey of (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
The InChIKey is YQISCFMBRFGVIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-12-6-4-5-11-7-9-15(14(17)13(11)12)8-2-3-10-16-15/h4-6,16H,2-3,7-10H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
(2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one is sourced from PubChem (CID 129389972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).