2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone

C26H31FN2O2 — CID 97375938

IUPAC2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C26H31FN2O2/c27-22-7-5-20(6-8-22)19-28-11-9-26(10-12-28)18-21(23-3-1-2-4-24(23)26)17-25(30)29-13-15-31-16-14-29/h1-8,21H,9-19H2/t21-/m1/s1
InChIKeyBOQRHKCRMDILER-OAQYLSRUSA-N
MW422.54 g/mol
LogP4.10
Rot. Bonds4

About 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone

2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone (PubChem CID 97375938) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
PubChem CID97375938
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C26H31FN2O2/c27-22-7-5-20(6-8-22)19-28-11-9-26(10-12-28)18-21(23-3-1-2-4-24(23)26)17-25(30)29-13-15-31-16-14-29/h1-8,21H,9-19H2/t21-/m1/s1
InChIKeyBOQRHKCRMDILER-OAQYLSRUSA-N
XLogP4.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-1-[(1R)-1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11685100
Methanone, (2-indanyl)(4-morpholyl)-
CID 576078
2-[5-Fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118739125
[1-[[2-(2-Fluorophenyl)phenyl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 134797935
[1-[[3-(2,4-Difluorophenyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134801556
4-{3-[1-(4-Biphenylylmethyl)-3-piperidinyl]propanoyl}morpholine
CID 45182450
2-allyl-9-(2,3-dihydro-1H-inden-1-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854422
9-(2,3-dihydro-1H-inden-1-ylcarbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72916747
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide
CID 25459847
4-{1-[(2'-Fluoro-2-biphenylyl)carbonyl]-3-piperidinyl}morpholine
CID 45184729
4-{1-[3-(2-Fluorophenyl)-3-phenylpropanoyl]-4-piperidinyl}morpholine
CID 45224294
1-(2-fluorobenzyl)-5-(1'H-spiro[indene-1,4'-piperidin]-1'-ylcarbonyl)-2-piperidinone
CID 45231397

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone (CID 97375938) is 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone is O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)N1CCOCC1.
What is the InChIKey of 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is BOQRHKCRMDILER-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H31FN2O2/c27-22-7-5-20(6-8-22)19-28-11-9-26(10-12-28)18-21(23-3-1-2-4-24(23)26)17-25(30)29-13-15-31-16-14-29/h1-8,21H,9-19H2/t21-/m1/s1.
What are the key properties of 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone?
2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 422.54 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97375938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).