[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone

C20H28N2O3 — CID 98778276

IUPAC[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@]2(CCCN(Cc3ccccc3)C2)CO1)N1CCOCC1
InChIInChI=1S/C20H28N2O3/c23-19(22-9-11-24-12-10-22)18-13-20(16-25-18)7-4-8-21(15-20)14-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2/t18-,20-/m0/s1
InChIKeyFWTFEXKGWPOBRQ-ICSRJNTNSA-N
MW344.45 g/mol
LogP1.92
Rot. Bonds3

About [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone

[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone (PubChem CID 98778276) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
PubChem CID98778276
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@]2(CCCN(Cc3ccccc3)C2)CO1)N1CCOCC1
InChIInChI=1S/C20H28N2O3/c23-19(22-9-11-24-12-10-22)18-13-20(16-25-18)7-4-8-21(15-20)14-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2/t18-,20-/m0/s1
InChIKeyFWTFEXKGWPOBRQ-ICSRJNTNSA-N
XLogP1.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
CID 98287421
(3R,5R)-9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 124519960
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methanone;dihydrochloride
CID 120800295
9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155863049
2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 125170778
N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 131651871
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494863
2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494806
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone (CID 98778276) is [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@]2(CCCN(Cc3ccccc3)C2)CO1)N1CCOCC1.
What is the InChIKey of [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FWTFEXKGWPOBRQ-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(22-9-11-24-12-10-22)18-13-20(16-25-18)7-4-8-21(15-20)14-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2/t18-,20-/m0/s1.
What are the key properties of [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone has a molecular weight of 344.45 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 98778276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).