2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide

C25H35N3O3 — CID 134563453

IUPAC2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide
SMILESCONC(=O)CC1C(=O)N(C2CCN(C3C4CCCC3CCC4)CC2)c2ccccc21
InChIInChI=1S/C25H35N3O3/c1-31-26-23(29)16-21-20-10-2-3-11-22(20)28(25(21)30)19-12-14-27(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,17-19,21,24H,4-9,12-16H2,1H3,(H,26,29)
InChIKeyGFGTXPPVBOMEBB-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.62
Rot. Bonds5

About 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide

2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide (PubChem CID 134563453) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide.

Molecular Properties

Compound Name2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide
PubChem CID134563453
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide
SMILESCONC(=O)CC1C(=O)N(C2CCN(C3C4CCCC3CCC4)CC2)c2ccccc21
InChIInChI=1S/C25H35N3O3/c1-31-26-23(29)16-21-20-10-2-3-11-22(20)28(25(21)30)19-12-14-27(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,17-19,21,24H,4-9,12-16H2,1H3,(H,26,29)
InChIKeyGFGTXPPVBOMEBB-UHFFFAOYSA-N
XLogP3.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide?
The IUPAC name of 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide (CID 134563453) is 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide.
What is the SMILES notation for 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide?
The canonical SMILES for 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide is CONC(=O)CC1C(=O)N(C2CCN(C3C4CCCC3CCC4)CC2)c2ccccc21.
What is the InChIKey of 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide?
The InChIKey is GFGTXPPVBOMEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-31-26-23(29)16-21-20-10-2-3-11-22(20)28(25(21)30)19-12-14-27(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,17-19,21,24H,4-9,12-16H2,1H3,(H,26,29).
What are the key properties of 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide?
2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide has a molecular weight of 425.57 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(9-bicyclo[3.3.1]nonanyl)piperidin-4-yl]-2-oxo-3H-indol-3-yl]-N-methoxyacetamide is sourced from PubChem (CID 134563453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).