1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone

C17H21N5O2 — CID 56908939

IUPAC1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)Cn3cncn3)CC2)[C@H]1O
InChIInChI=1S/C17H21N5O2/c18-15-12-3-1-2-4-13(12)17(16(15)24)5-7-21(8-6-17)14(23)9-22-11-19-10-20-22/h1-4,10-11,15-16,24H,5-9,18H2/t15-,16+/m1/s1
InChIKeyHJUZBIGDEPVVJJ-CVEARBPZSA-N
MW327.39 g/mol
LogP0.21
Rot. Bonds2

About 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 56908939) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID56908939
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)Cn3cncn3)CC2)[C@H]1O
InChIInChI=1S/C17H21N5O2/c18-15-12-3-1-2-4-13(12)17(16(15)24)5-7-21(8-6-17)14(23)9-22-11-19-10-20-22/h1-4,10-11,15-16,24H,5-9,18H2/t15-,16+/m1/s1
InChIKeyHJUZBIGDEPVVJJ-CVEARBPZSA-N
XLogP0.21
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56898268
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
1-[(1S,2S)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-4-pyrazolidin-4-ylbutan-1-one
CID 133128124
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone
CID 56914850
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56912996
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 56895864
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
CID 106671113
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone
CID 56890390
1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 90631293
N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466656
[(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
(4S)-2-cyclopropyl-4-phenyl-9-[2-(1,2,4-triazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97434858

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 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) is 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone is N[C@@H]1c2ccccc2C2(CCN(C(=O)Cn3cncn3)CC2)[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is HJUZBIGDEPVVJJ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-15-12-3-1-2-4-13(12)17(16(15)24)5-7-21(8-6-17)14(23)9-22-11-19-10-20-22/h1-4,10-11,15-16,24H,5-9,18H2/t15-,16+/m1/s1.
What are the key properties of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 327.39 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 56908939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).