2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide

C18H27N3O4 — CID 97395317

IUPAC2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
SMILESCNC(=O)CO[C@H]1CO[C@]2(CCCN(Cc3ccc(OC)nc3)C2)C1
InChIInChI=1S/C18H27N3O4/c1-19-16(22)12-24-15-8-18(25-11-15)6-3-7-21(13-18)10-14-4-5-17(23-2)20-9-14/h4-5,9,15H,3,6-8,10-13H2,1-2H3,(H,19,22)/t15-,18-/m1/s1
InChIKeyXZXYQUJZTXLBPR-CRAIPNDOSA-N
MW349.43 g/mol
LogP0.98
Rot. Bonds6

About 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide

2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide (PubChem CID 97395317) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
PubChem CID97395317
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
SMILESCNC(=O)CO[C@H]1CO[C@]2(CCCN(Cc3ccc(OC)nc3)C2)C1
InChIInChI=1S/C18H27N3O4/c1-19-16(22)12-24-15-8-18(25-11-15)6-3-7-21(13-18)10-14-4-5-17(23-2)20-9-14/h4-5,9,15H,3,6-8,10-13H2,1-2H3,(H,19,22)/t15-,18-/m1/s1
InChIKeyXZXYQUJZTXLBPR-CRAIPNDOSA-N
XLogP0.98
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
N-methyl-2-[[7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071038
N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 134078949
N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487333
(3S,5S)-3-methoxy-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155835431
N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394260
N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394281
N-methyl-2-[[(3R)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487338
N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071044
N-methyl-2-[[(3R)-8-(5-methylpyrazine-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97394930
N,N-dimethyl-2-[[9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131652566
N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395337

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
The IUPAC name of 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide (CID 97395317) is 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide.
What is the SMILES notation for 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
The canonical SMILES for 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide is CNC(=O)CO[C@H]1CO[C@]2(CCCN(Cc3ccc(OC)nc3)C2)C1.
What is the InChIKey of 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
The InChIKey is XZXYQUJZTXLBPR-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-19-16(22)12-24-15-8-18(25-11-15)6-3-7-21(13-18)10-14-4-5-17(23-2)20-9-14/h4-5,9,15H,3,6-8,10-13H2,1-2H3,(H,19,22)/t15-,18-/m1/s1.
What are the key properties of 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide has a molecular weight of 349.43 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide is sourced from PubChem (CID 97395317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).