[(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C22H27N3O2S — CID 30881837

IUPAC[(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N2CCCC2)[C@@H]3O)cs1
InChIInChI=1S/C22H27N3O2S/c1-15-23-18(14-28-15)21(27)25-12-8-22(9-13-25)17-7-3-2-6-16(17)19(20(22)26)24-10-4-5-11-24/h2-3,6-7,14,19-20,26H,4-5,8-13H2,1H3/t19-,20+/m1/s1
InChIKeyUIQWSAQYIVESQQ-UXHICEINSA-N
MW397.54 g/mol
LogP3.14
Rot. Bonds2

About [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 30881837) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID30881837
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name[(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N2CCCC2)[C@@H]3O)cs1
InChIInChI=1S/C22H27N3O2S/c1-15-23-18(14-28-15)21(27)25-12-8-22(9-13-25)17-7-3-2-6-16(17)19(20(22)26)24-10-4-5-11-24/h2-3,6-7,14,19-20,26H,4-5,8-13H2,1H3/t19-,20+/m1/s1
InChIKeyUIQWSAQYIVESQQ-UXHICEINSA-N
XLogP3.14
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
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CID 122270357
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
2-methyl-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895841
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one
CID 31224187
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 56886540
4-anilino-N,N-dimethyl-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-4-carboxamide
CID 155873454
1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 110474094
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820453

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 30881837) is [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N2CCCC2)[C@@H]3O)cs1.
What is the InChIKey of [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is UIQWSAQYIVESQQ-UXHICEINSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-15-23-18(14-28-15)21(27)25-12-8-22(9-13-25)17-7-3-2-6-16(17)19(20(22)26)24-10-4-5-11-24/h2-3,6-7,14,19-20,26H,4-5,8-13H2,1H3/t19-,20+/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 397.54 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 30881837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).