N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C30H33N3O3 — CID 133137848

IUPACN-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1c2ccccc2C2(CCN(C(=O)c3cccc(C)c3C)CC2)[C@@H]1OCc1ccncc1
InChIInChI=1S/C30H33N3O3/c1-20-7-6-9-24(21(20)2)29(35)33-17-13-30(14-18-33)26-10-5-4-8-25(26)27(32-22(3)34)28(30)36-19-23-11-15-31-16-12-23/h4-12,15-16,27-28H,13-14,17-19H2,1-3H3,(H,32,34)/t27-,28+/m0/s1
InChIKeyJGSJREOYRGYZIE-WUFINQPMSA-N
MW483.61 g/mol
LogP4.65
Rot. Bonds5

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

N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 133137848) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID133137848
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC NameN-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1c2ccccc2C2(CCN(C(=O)c3cccc(C)c3C)CC2)[C@@H]1OCc1ccncc1
InChIInChI=1S/C30H33N3O3/c1-20-7-6-9-24(21(20)2)29(35)33-17-13-30(14-18-33)26-10-5-4-8-25(26)27(32-22(3)34)28(30)36-19-23-11-15-31-16-12-23/h4-12,15-16,27-28H,13-14,17-19H2,1-3H3,(H,32,34)/t27-,28+/m0/s1
InChIKeyJGSJREOYRGYZIE-WUFINQPMSA-N
XLogP4.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118759618
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-[(1S,2S)-1'-(5-propyl-1,2-oxazole-3-carbonyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133133693
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)-1'-[3-(4-methylphenyl)propanoyl]-2-(pyridin-2-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42436255
N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42164369
N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42275075
(2,3-dimethylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856697
N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42453668
N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42167159

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 133137848) is N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@H]1c2ccccc2C2(CCN(C(=O)c3cccc(C)c3C)CC2)[C@@H]1OCc1ccncc1.
What is the InChIKey of N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is JGSJREOYRGYZIE-WUFINQPMSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-20-7-6-9-24(21(20)2)29(35)33-17-13-30(14-18-33)26-10-5-4-8-25(26)27(32-22(3)34)28(30)36-19-23-11-15-31-16-12-23/h4-12,15-16,27-28H,13-14,17-19H2,1-3H3,(H,32,34)/t27-,28+/m0/s1.
What are the key properties of N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 483.61 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 133137848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).