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

C22H32N2O2 — CID 97281997

IUPAC[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)CC1
InChIInChI=1S/C22H32N2O2/c1-16(2)23-11-7-17(8-12-23)21(26)24-13-9-22(10-14-24)19-6-4-3-5-18(19)15-20(22)25/h3-6,16-17,20,25H,7-15H2,1-2H3/t20-/m0/s1
InChIKeyHBUCFGGSWHQXMG-FQEVSTJZSA-N
MW356.51 g/mol
LogP2.58
Rot. Bonds2

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

[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 97281997) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID97281997
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)CC1
InChIInChI=1S/C22H32N2O2/c1-16(2)23-11-7-17(8-12-23)21(26)24-13-9-22(10-14-24)19-6-4-3-5-18(19)15-20(22)25/h3-6,16-17,20,25H,7-15H2,1-2H3/t20-/m0/s1
InChIKeyHBUCFGGSWHQXMG-FQEVSTJZSA-N
XLogP2.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[3-(1-Piperazinyl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56909026
1'-[(Methylthio)acetyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56914770
1-[2-[1-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 30897571
tert-Butyl (2S)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 11748702
tert-Butyl 2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 18673577
tert-butyl (2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 58692349
Tert-butyl 2-hydroxy-1-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 69764343
(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 89652361
2-Hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 141144069
3-(2-Hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2,2-dimethylpropanoic acid
CID 170165007
2'-Tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 172689101
Ethane;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 176678071

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (CID 97281997) is [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is CC(C)N1CCC(C(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)CC1.
What is the InChIKey of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is HBUCFGGSWHQXMG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-16(2)23-11-7-17(8-12-23)21(26)24-13-9-22(10-14-24)19-6-4-3-5-18(19)15-20(22)25/h3-6,16-17,20,25H,7-15H2,1-2H3/t20-/m0/s1.
What are the key properties of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 356.51 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 97281997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).