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

C17H21N5O2 — CID 56898268

IUPACN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C17H21N5O2/c23-14(9-22-11-19-10-20-22)21-15-12-3-1-2-4-13(12)17(16(15)24)5-7-18-8-6-17/h1-4,10-11,15-16,18,24H,5-9H2,(H,21,23)/t15-,16+/m1/s1
InChIKeyRFBOUGWQIGJKFJ-CVEARBPZSA-N
MW327.39 g/mol
LogP0.13
Rot. Bonds3

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

N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 56898268) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID56898268
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C17H21N5O2/c23-14(9-22-11-19-10-20-22)21-15-12-3-1-2-4-13(12)17(16(15)24)5-7-18-8-6-17/h1-4,10-11,15-16,18,24H,5-9H2,(H,21,23)/t15-,16+/m1/s1
InChIKeyRFBOUGWQIGJKFJ-CVEARBPZSA-N
XLogP0.13
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 56887275
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
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide
CID 56898212
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride
CID 154894928
N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 133122330
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
N-[(1R,2R)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118759618
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 56894795
N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide
CID 56903301
3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 56898735
N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
CID 133120386
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 56898268) is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is RFBOUGWQIGJKFJ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-14(9-22-11-19-10-20-22)21-15-12-3-1-2-4-13(12)17(16(15)24)5-7-18-8-6-17/h1-4,10-11,15-16,18,24H,5-9H2,(H,21,23)/t15-,16+/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 327.39 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 56898268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).