[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone

C23H23N3O2 — CID 56914850

IUPAC[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)c3cccc4ncccc34)CC2)[C@H]1O
InChIInChI=1S/C23H23N3O2/c24-20-17-5-1-2-8-18(17)23(21(20)27)10-13-26(14-11-23)22(28)16-6-3-9-19-15(16)7-4-12-25-19/h1-9,12,20-21,27H,10-11,13-14,24H2/t20-,21+/m1/s1
InChIKeyFWBQHZHGBVRSLJ-RTWAWAEBSA-N
MW373.46 g/mol
LogP2.78
Rot. Bonds1

About [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone

[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone (PubChem CID 56914850) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone
PubChem CID56914850
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)c3cccc4ncccc34)CC2)[C@H]1O
InChIInChI=1S/C23H23N3O2/c24-20-17-5-1-2-8-18(17)23(21(20)27)10-13-26(14-11-23)22(28)16-6-3-9-19-15(16)7-4-12-25-19/h1-9,12,20-21,27H,10-11,13-14,24H2/t20-,21+/m1/s1
InChIKeyFWBQHZHGBVRSLJ-RTWAWAEBSA-N
XLogP2.78
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone with MolForge

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Related Compounds

(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56891779
(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
CID 79992741
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone
CID 110159736
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone
CID 56890390
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 56908939
[(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-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956
1-[(1S,2S)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-benzimidazol-2-yl)propan-1-one
CID 133132086
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 55724132
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110107959

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone (CID 56914850) is [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone is N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cccc4ncccc34)CC2)[C@H]1O.
What is the InChIKey of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone?
The InChIKey is FWBQHZHGBVRSLJ-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-20-17-5-1-2-8-18(17)23(21(20)27)10-13-26(14-11-23)22(28)16-6-3-9-19-15(16)7-4-12-25-19/h1-9,12,20-21,27H,10-11,13-14,24H2/t20-,21+/m1/s1.
What are the key properties of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone?
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone has a molecular weight of 373.46 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 56914850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).