(3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane

C20H29NO — CID 134243137

IUPAC(3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC[C@H]1COC2(CCN(C[C@@H]3CCc4ccccc43)CC2)C1
InChIInChI=1S/C20H29NO/c1-2-16-13-20(22-15-16)9-11-21(12-10-20)14-18-8-7-17-5-3-4-6-19(17)18/h3-6,16,18H,2,7-15H2,1H3/t16-,18+/m1/s1
InChIKeyPDXDWIUVIQPPRW-AEFFLSMTSA-N
MW299.46 g/mol
LogP4.00
Rot. Bonds3

About (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane

(3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134243137) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID134243137
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane
SMILESCC[C@H]1COC2(CCN(C[C@@H]3CCc4ccccc43)CC2)C1
InChIInChI=1S/C20H29NO/c1-2-16-13-20(22-15-16)9-11-21(12-10-20)14-18-8-7-17-5-3-4-6-19(17)18/h3-6,16,18H,2,7-15H2,1H3/t16-,18+/m1/s1
InChIKeyPDXDWIUVIQPPRW-AEFFLSMTSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

1'-(Oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
CID 54586713
(3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-ol
CID 70712610
9-Methyl-4-phenyl-1-oxa-9-azaspiro[5.5]undecane
CID 178294257
(2R)-1-methyl-2-[[6-(oxan-4-yl)-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102685
1'-(Oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 15163164
8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 126687700
8-(2,3-dihydro-1H-inden-1-ylacetyl)-1-oxa-8-azaspiro[4.5]decane
CID 56873602
1'-(Oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 11529337
4-[(9H-fluoren-9-yl)methyl]morpholine
CID 12572566
3-Benzyl-8-tert-butyl-1-oxa-8-azaspiro[4.5]decane
CID 18342617
1'-[4-(2,3-dihydro-1H-inden-1-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 19354243
1'-[(E)-4-(2,3-dihydro-1H-inden-1-yl)but-3-enyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 22012199

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane (CID 134243137) is (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane is CC[C@H]1COC2(CCN(C[C@@H]3CCc4ccccc43)CC2)C1.
What is the InChIKey of (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is PDXDWIUVIQPPRW-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H29NO/c1-2-16-13-20(22-15-16)9-11-21(12-10-20)14-18-8-7-17-5-3-4-6-19(17)18/h3-6,16,18H,2,7-15H2,1H3/t16-,18+/m1/s1.
What are the key properties of (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 299.46 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-3-ethyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134243137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).