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

C29H30FN3O3 — CID 42429772

IUPACN-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3cccc(F)c3)CC2)[C@H]1OCc1ccncc1
InChIInChI=1S/C29H30FN3O3/c1-20(34)32-27-24-7-2-3-8-25(24)29(28(27)36-19-21-9-13-31-14-10-21)11-15-33(16-12-29)26(35)18-22-5-4-6-23(30)17-22/h2-10,13-14,17,27-28H,11-12,15-16,18-19H2,1H3,(H,32,34)/t27-,28+/m1/s1
InChIKeyFYWFLJBSCZIDEZ-IZLXSDGUSA-N
MW487.58 g/mol
LogP4.10
Rot. Bonds6

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

N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 42429772) has the molecular formula C29H30FN3O3 and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID42429772
Molecular FormulaC29H30FN3O3
Molecular Weight487.58 g/mol
Exact Mass487.23
IUPAC NameN-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3cccc(F)c3)CC2)[C@H]1OCc1ccncc1
InChIInChI=1S/C29H30FN3O3/c1-20(34)32-27-24-7-2-3-8-25(24)29(28(27)36-19-21-9-13-31-14-10-21)11-15-33(16-12-29)26(35)18-22-5-4-6-23(30)17-22/h2-10,13-14,17,27-28H,11-12,15-16,18-19H2,1H3,(H,32,34)/t27-,28+/m1/s1
InChIKeyFYWFLJBSCZIDEZ-IZLXSDGUSA-N
XLogP4.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42274264
N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118755045
N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42164369
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'-(3-chlorothiophene-2-carbonyl)-2-phenylmethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42501465
N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42275075
N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 133117847
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
1'-[2-(3-fluorophenyl)acetyl]-N-(pyridin-3-ylmethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131680723
N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42167159
N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248211
N-[(1R,2R)-1'-[(E)-4-methylpent-2-enoyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 26279563

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 42429772) is N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3cccc(F)c3)CC2)[C@H]1OCc1ccncc1.
What is the InChIKey of N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is FYWFLJBSCZIDEZ-IZLXSDGUSA-N. The full InChI is InChI=1S/C29H30FN3O3/c1-20(34)32-27-24-7-2-3-8-25(24)29(28(27)36-19-21-9-13-31-14-10-21)11-15-33(16-12-29)26(35)18-22-5-4-6-23(30)17-22/h2-10,13-14,17,27-28H,11-12,15-16,18-19H2,1H3,(H,32,34)/t27-,28+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 487.58 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 42429772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).