N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide

C20H31N3O2 — CID 118740898

IUPACN-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC2(CCN(CCN(C)C)CC2)c2ccccc21
InChIInChI=1S/C20H31N3O2/c1-22(2)12-13-23-10-8-20(9-11-23)14-18(21-19(24)15-25-3)16-6-4-5-7-17(16)20/h4-7,18H,8-15H2,1-3H3,(H,21,24)
InChIKeyVKZAODPRKIZZDI-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.79
Rot. Bonds6

About N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide

N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide (PubChem CID 118740898) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide
PubChem CID118740898
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC2(CCN(CCN(C)C)CC2)c2ccccc21
InChIInChI=1S/C20H31N3O2/c1-22(2)12-13-23-10-8-20(9-11-23)14-18(21-19(24)15-25-3)16-6-4-5-7-17(16)20/h4-7,18H,8-15H2,1-3H3,(H,21,24)
InChIKeyVKZAODPRKIZZDI-UHFFFAOYSA-N
XLogP1.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
N-(2,3-Dihydro-1H-inden-1-yl)-N-methyl-2-(morpholin-4-yl)acetamide
CID 110872
1-Indanamine, N-(2-morpholinoacetyl)-
CID 110876
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883
1-Indanamine, N-(2-morpholinoacetyl)-2-phenyl-, hydrochloride
CID 115637
4-(Morpholin-4-yl)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanimidic acid
CID 115639
3-(Morpholin-4-yl)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)propanimidic acid
CID 115640
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-4-morpholineacetamide hydrochloride
CID 3058671
N-(2,3-dihydro-1H-inden-1-yl)-2-methoxy-N-methylacetamide
CID 53518519
2-Methoxy-1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118738948
3-(1'-Acetyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
CID 118739340

Frequently Asked Questions

What is the IUPAC name of N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide?
The IUPAC name of N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide (CID 118740898) is N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide is COCC(=O)NC1CC2(CCN(CCN(C)C)CC2)c2ccccc21.
What is the InChIKey of N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide?
The InChIKey is VKZAODPRKIZZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22(2)12-13-23-10-8-20(9-11-23)14-18(21-19(24)15-25-3)16-6-4-5-7-17(16)20/h4-7,18H,8-15H2,1-3H3,(H,21,24).
What are the key properties of N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide?
N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide has a molecular weight of 345.49 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide is sourced from PubChem (CID 118740898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).