N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide

C23H29N3O3 — CID 56903301

IUPACN-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide
SMILESCOCCO[C@H]1[C@H](NC(=O)Cc2cccnc2)c2ccccc2C12CCNCC2
InChIInChI=1S/C23H29N3O3/c1-28-13-14-29-22-21(26-20(27)15-17-5-4-10-25-16-17)18-6-2-3-7-19(18)23(22)8-11-24-12-9-23/h2-7,10,16,21-22,24H,8-9,11-15H2,1H3,(H,26,27)/t21-,22+/m1/s1
InChIKeyBKUKZVKMNMVEBB-YADHBBJMSA-N
MW395.50 g/mol
LogP2.15
Rot. Bonds7

About N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide

N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide (PubChem CID 56903301) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide
PubChem CID56903301
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide
SMILESCOCCO[C@H]1[C@H](NC(=O)Cc2cccnc2)c2ccccc2C12CCNCC2
InChIInChI=1S/C23H29N3O3/c1-28-13-14-29-22-21(26-20(27)15-17-5-4-10-25-16-17)18-6-2-3-7-19(18)23(22)8-11-24-12-9-23/h2-7,10,16,21-22,24H,8-9,11-15H2,1H3,(H,26,27)/t21-,22+/m1/s1
InChIKeyBKUKZVKMNMVEBB-YADHBBJMSA-N
XLogP2.15
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide
CID 133118063
N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide
CID 133131068
1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide
CID 133130446
N-[(1R,2R)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118759618
N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
CID 56914894
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
CID 133120386
3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 56898735
2-(2-methoxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133115310
2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70736734
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride
CID 154895204
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-3-ylacetamide
CID 62690720

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide (CID 56903301) is N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide is COCCO[C@H]1[C@H](NC(=O)Cc2cccnc2)c2ccccc2C12CCNCC2.
What is the InChIKey of N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide?
The InChIKey is BKUKZVKMNMVEBB-YADHBBJMSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-28-13-14-29-22-21(26-20(27)15-17-5-4-10-25-16-17)18-6-2-3-7-19(18)23(22)8-11-24-12-9-23/h2-7,10,16,21-22,24H,8-9,11-15H2,1H3,(H,26,27)/t21-,22+/m1/s1.
What are the key properties of N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide?
N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide has a molecular weight of 395.50 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 56903301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).