4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one

C17H22N2O2 — CID 91812260

IUPAC4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one
SMILESO=C1COC2(CC3CCC(C2)N3)CN1Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16-11-21-17(8-14-6-7-15(9-17)18-14)12-19(16)10-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2
InChIKeyFMFSRIGMZQGSCV-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds2

About 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one

4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one (PubChem CID 91812260) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one.

Molecular Properties

Compound Name4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one
PubChem CID91812260
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one
SMILESO=C1COC2(CC3CCC(C2)N3)CN1Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16-11-21-17(8-14-6-7-15(9-17)18-14)12-19(16)10-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2
InChIKeyFMFSRIGMZQGSCV-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125015862
2-[4-[(2R)-4-benzyl-2-methyl-5-oxomorpholin-2-yl]piperidin-1-yl]acetamide
CID 124950770
4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984327
4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one
CID 57087301
1,5-dibenzyl-1,3-diazinane-2,4-dione
CID 78176419
3-benzylimidazolidin-4-one
CID 14175562
11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155497544
7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one
CID 164646664
4-benzyl-6-piperidin-4-ylmorpholin-3-one
CID 115067805
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
CID 115068104

Frequently Asked Questions

What is the IUPAC name of 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one?
The IUPAC name of 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one (CID 91812260) is 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one.
What is the SMILES notation for 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one?
The canonical SMILES for 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one is O=C1COC2(CC3CCC(C2)N3)CN1Cc1ccccc1.
What is the InChIKey of 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one?
The InChIKey is FMFSRIGMZQGSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-11-21-17(8-14-6-7-15(9-17)18-14)12-19(16)10-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2.
What are the key properties of 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one?
4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one has a molecular weight of 286.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-benzylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one is sourced from PubChem (CID 91812260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).