1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone

C22H25NO3 — CID 95721819

IUPAC1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C22H25NO3/c24-20-14-18-8-4-5-9-19(18)22(20)10-12-23(13-11-22)21(25)16-26-15-17-6-2-1-3-7-17/h1-9,20,24H,10-16H2/t20-/m0/s1
InChIKeyXAIZEJFCINBDNQ-FQEVSTJZSA-N
MW351.45 g/mol
LogP2.68
Rot. Bonds4

About 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone

1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone (PubChem CID 95721819) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone
PubChem CID95721819
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C22H25NO3/c24-20-14-18-8-4-5-9-19(18)22(20)10-12-23(13-11-22)21(25)16-26-15-17-6-2-1-3-7-17/h1-9,20,24H,10-16H2/t20-/m0/s1
InChIKeyXAIZEJFCINBDNQ-FQEVSTJZSA-N
XLogP2.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine, 1-(2-((2-benzyl-1-indanyl)oxy)ethyl)-, oxalate (1:1), trans-
CID 203561
1-(1-Ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738956
1-(5-Fluoro-1-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738957
1-(1-Ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methoxyethanone
CID 118738967
2-(benzyloxy)-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]acetamide
CID 91631200
1-[1-(Cyclopropylmethoxy)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-methoxyethanone
CID 131656922
1-(2-Hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 44611734
1-[2-[[(1S,2R)-2-benzyl-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]piperidine
CID 3038045
cyclobutyl-[(2R)-2-(3,4-difluorophenyl)-2-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]morpholin-4-yl]methanone
CID 9827691
cyclopropyl-[(2R)-2-(3,4-difluorophenyl)-2-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]morpholin-4-yl]methanone
CID 9892018
cyclopentyl-[(2R)-2-(3,4-difluorophenyl)-2-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]morpholin-4-yl]methanone
CID 9958462
1'-[(2,2,3,3-Tetrafluoropropoxy)acetyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56915741

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone (CID 95721819) is 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCC2(CC1)c1ccccc1C[C@@H]2O.
What is the InChIKey of 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone?
The InChIKey is XAIZEJFCINBDNQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25NO3/c24-20-14-18-8-4-5-9-19(18)22(20)10-12-23(13-11-22)21(25)16-26-15-17-6-2-1-3-7-17/h1-9,20,24H,10-16H2/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone?
1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone has a molecular weight of 351.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 95721819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).