N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C28H31N3O3S — CID 42275075

IUPACN-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3cccs3)CC2)[C@H]1OCc1ccccn1
InChIInChI=1S/C28H31N3O3S/c1-20(32)30-26-23-9-2-3-10-24(23)28(27(26)34-19-21-7-4-5-15-29-21)13-16-31(17-14-28)25(33)12-11-22-8-6-18-35-22/h2-10,15,18,26-27H,11-14,16-17,19H2,1H3,(H,30,32)/t26-,27+/m1/s1
InChIKeyVXQRJHNSBBVGSP-SXOMAYOGSA-N
MW489.64 g/mol
LogP4.41
Rot. Bonds7

About N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 42275075) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID42275075
Molecular FormulaC28H31N3O3S
Molecular Weight489.64 g/mol
Exact Mass489.21
IUPAC NameN-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3cccs3)CC2)[C@H]1OCc1ccccn1
InChIInChI=1S/C28H31N3O3S/c1-20(32)30-26-23-9-2-3-10-24(23)28(27(26)34-19-21-7-4-5-15-29-21)13-16-31(17-14-28)25(33)12-11-22-8-6-18-35-22/h2-10,15,18,26-27H,11-14,16-17,19H2,1H3,(H,30,32)/t26-,27+/m1/s1
InChIKeyVXQRJHNSBBVGSP-SXOMAYOGSA-N
XLogP4.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-1'-[3-(4-methylphenyl)propanoyl]-2-(pyridin-2-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42436255
N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42429772
N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42274264
N-[(1R,2R)-1'-(3-chlorothiophene-2-carbonyl)-2-phenylmethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42501465
N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118755045
N-[(1R,2R)-2-methoxy-1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42372652
N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42164369
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 133109718
N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248211
N-[(1R,2R)-2-methoxy-1'-(3-phenylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 26283267
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 42275075) is N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3cccs3)CC2)[C@H]1OCc1ccccn1.
What is the InChIKey of N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is VXQRJHNSBBVGSP-SXOMAYOGSA-N. The full InChI is InChI=1S/C28H31N3O3S/c1-20(32)30-26-23-9-2-3-10-24(23)28(27(26)34-19-21-7-4-5-15-29-21)13-16-31(17-14-28)25(33)12-11-22-8-6-18-35-22/h2-10,15,18,26-27H,11-14,16-17,19H2,1H3,(H,30,32)/t26-,27+/m1/s1.
What are the key properties of N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 489.64 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 42275075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).