[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone

C20H24N2O3 — CID 95723009

IUPAC[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C20H24N2O3/c1-2-5-17-15(13-21-25-17)19(24)22-10-8-20(9-11-22)16-7-4-3-6-14(16)12-18(20)23/h3-4,6-7,13,18,23H,2,5,8-12H2,1H3/t18-/m0/s1
InChIKeyIMVMUBQALJUYCX-SFHVURJKSA-N
MW340.42 g/mol
LogP2.72
Rot. Bonds3

About [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone

[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (PubChem CID 95723009) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
PubChem CID95723009
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C20H24N2O3/c1-2-5-17-15(13-21-25-17)19(24)22-10-8-20(9-11-22)16-7-4-3-6-14(16)12-18(20)23/h3-4,6-7,13,18,23H,2,5,8-12H2,1H3/t18-/m0/s1
InChIKeyIMVMUBQALJUYCX-SFHVURJKSA-N
XLogP2.72
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 56884985
(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
CID 56889620
[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 96580621
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 74249946
6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 72920747
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 95726170
1-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 95726493
2-(2-ethylimidazol-1-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 56895286
(5S)-3-methyl-7-(5-propyl-1,2-oxazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95713149
(5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
CID 95713749
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one
CID 56894938
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95730053

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (CID 95723009) is [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone is CCCc1oncc1C(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O.
What is the InChIKey of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The InChIKey is IMVMUBQALJUYCX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-5-17-15(13-21-25-17)19(24)22-10-8-20(9-11-22)16-7-4-3-6-14(16)12-18(20)23/h3-4,6-7,13,18,23H,2,5,8-12H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 95723009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).