N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

C27H27FN2O2 — CID 26275282

IUPACN-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESO=C(N[C@@H]1c2ccccc2C2(CCN(Cc3ccccc3F)CC2)[C@H]1O)c1ccccc1
InChIInChI=1S/C27H27FN2O2/c28-23-13-7-4-10-20(23)18-30-16-14-27(15-17-30)22-12-6-5-11-21(22)24(25(27)31)29-26(32)19-8-2-1-3-9-19/h1-13,24-25,31H,14-18H2,(H,29,32)/t24-,25+/m1/s1
InChIKeyZMMRBAPMAGYCPF-RPBOFIJWSA-N
MW430.52 g/mol
LogP4.21
Rot. Bonds4

About N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (PubChem CID 26275282) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
PubChem CID26275282
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC NameN-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESO=C(N[C@@H]1c2ccccc2C2(CCN(Cc3ccccc3F)CC2)[C@H]1O)c1ccccc1
InChIInChI=1S/C27H27FN2O2/c28-23-13-7-4-10-20(23)18-30-16-14-27(15-17-30)22-12-6-5-11-21(22)24(25(27)31)29-26(32)19-8-2-1-3-9-19/h1-13,24-25,31H,14-18H2,(H,29,32)/t24-,25+/m1/s1
InChIKeyZMMRBAPMAGYCPF-RPBOFIJWSA-N
XLogP4.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-1'-[(2,5-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
CID 133134966
N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 118757402
(1S,2S)-1-(dimethylamino)-1'-[(3-fluoro-2-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133125032
N-[(1R,2R)-2-methoxy-1'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 42501496
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
CID 42275878
2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 56887275
N-[(1R,2R)-2-hydroxy-1'-[(2-hydroxy-6-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
CID 42211312
N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
CID 42379197
N-[(1S,2S)-2-hydroxy-1'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 133133884
2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid
CID 56895920
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The IUPAC name of N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (CID 26275282) is N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.
What is the SMILES notation for N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The canonical SMILES for N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is O=C(N[C@@H]1c2ccccc2C2(CCN(Cc3ccccc3F)CC2)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The InChIKey is ZMMRBAPMAGYCPF-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H27FN2O2/c28-23-13-7-4-10-20(23)18-30-16-14-27(15-17-30)22-12-6-5-11-21(22)24(25(27)31)29-26(32)19-8-2-1-3-9-19/h1-13,24-25,31H,14-18H2,(H,29,32)/t24-,25+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide has a molecular weight of 430.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is sourced from PubChem (CID 26275282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).