3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

C26H27FN2O2S — CID 42274765

IUPAC3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESCO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C26H27FN2O2S/c1-31-24-23(28-25(30)19-5-4-6-20(27)15-19)21-7-2-3-8-22(21)26(24)10-12-29(13-11-26)16-18-9-14-32-17-18/h2-9,14-15,17,23-24H,10-13,16H2,1H3,(H,28,30)/t23-,24+/m1/s1
InChIKeyIWGUKMHXTCWQAQ-RPWUZVMVSA-N
MW450.58 g/mol
LogP4.92
Rot. Bonds5

About 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (PubChem CID 42274765) has the molecular formula C26H27FN2O2S and a molecular weight of 450.58 g/mol. Its IUPAC name is 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
PubChem CID42274765
Molecular FormulaC26H27FN2O2S
Molecular Weight450.58 g/mol
Exact Mass450.18
IUPAC Name3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESCO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C26H27FN2O2S/c1-31-24-23(28-25(30)19-5-4-6-20(27)15-19)21-7-2-3-8-22(21)26(24)10-12-29(13-11-26)16-18-9-14-32-17-18/h2-9,14-15,17,23-24H,10-13,16H2,1H3,(H,28,30)/t23-,24+/m1/s1
InChIKeyIWGUKMHXTCWQAQ-RPWUZVMVSA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R*,3R*)-3-amino-1'-[(5-isopropyl-3-thienyl)carbonyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56901608
3-chloro-N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-thiophenecarboxamide hydrochloride
CID 70781729
4-fluoro-N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]benzamide hydrochloride
CID 70788499
N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]benzamide hydrochloride
CID 70770280
2-ethyl-N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]benzamide hydrochloride
CID 70780098
N-[(2R*,3R*)-1'-(2,3-difluorobenzyl)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-3-thiophenecarboxamide
CID 26274703
N-[(2R*,3R*)-1'-(4-fluorobenzyl)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylthio)acetamide
CID 26343853
N-[(2R*,3R*)-2-(2-methoxyethoxy)-1'-(3-thienylacetyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]propanamide
CID 26354248
N-[(1R,2R)-1'-[(2,5-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42162786
N-[(2R*,3R*)-1'-(2-fluoro-4-methoxybenzyl)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-thiophenecarboxamide
CID 42275878
N-[(2R*,3R*)-2-methoxy-1'-(2,3,6-trifluorobenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-3-thiophenecarboxamide
CID 42326270
3-fluoro-N-{(2R*,3R*)-2-methoxy-1'-[(2E)-2-methyl-2-buten-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}benzamide
CID 42369508

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (CID 42274765) is 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is CO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CCN(Cc1ccsc1)CC2.
What is the InChIKey of 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The InChIKey is IWGUKMHXTCWQAQ-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H27FN2O2S/c1-31-24-23(28-25(30)19-5-4-6-20(27)15-19)21-7-2-3-8-22(21)26(24)10-12-29(13-11-26)16-18-9-14-32-17-18/h2-9,14-15,17,23-24H,10-13,16H2,1H3,(H,28,30)/t23-,24+/m1/s1.
What are the key properties of 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide has a molecular weight of 450.58 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1R,2R)-2-methoxy-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is sourced from PubChem (CID 42274765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).