2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide

C17H28N4O3 — CID 97394924

IUPAC2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
SMILESCNC(=O)CO[C@H]1COC2(CCN(Cc3cc(C)nn3C)CC2)C1
InChIInChI=1S/C17H28N4O3/c1-13-8-14(20(3)19-13)10-21-6-4-17(5-7-21)9-15(11-24-17)23-12-16(22)18-2/h8,15H,4-7,9-12H2,1-3H3,(H,18,22)/t15-/m1/s1
InChIKeyPSSIIAMNLFFYOJ-OAHLLOKOSA-N
MW336.44 g/mol
LogP0.61
Rot. Bonds5

About 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide

2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide (PubChem CID 97394924) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
PubChem CID97394924
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
SMILESCNC(=O)CO[C@H]1COC2(CCN(Cc3cc(C)nn3C)CC2)C1
InChIInChI=1S/C17H28N4O3/c1-13-8-14(20(3)19-13)10-21-6-4-17(5-7-21)9-15(11-24-17)23-12-16(22)18-2/h8,15H,4-7,9-12H2,1-3H3,(H,18,22)/t15-/m1/s1
InChIKeyPSSIIAMNLFFYOJ-OAHLLOKOSA-N
XLogP0.61
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[[(3R)-8-(5-methylpyrazine-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97394930
N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487333
2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 131652996
N-methyl-2-[[7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071038
2-[8-[(2,5-dimethylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97409287
N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071044
2-[[(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124807095
N-methyl-2-[[(3R)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487338
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-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394281
2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 97395317

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
The IUPAC name of 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide (CID 97394924) is 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide.
What is the SMILES notation for 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
The canonical SMILES for 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide is CNC(=O)CO[C@H]1COC2(CCN(Cc3cc(C)nn3C)CC2)C1.
What is the InChIKey of 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
The InChIKey is PSSIIAMNLFFYOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13-8-14(20(3)19-13)10-21-6-4-17(5-7-21)9-15(11-24-17)23-12-16(22)18-2/h8,15H,4-7,9-12H2,1-3H3,(H,18,22)/t15-/m1/s1.
What are the key properties of 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide?
2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide has a molecular weight of 336.44 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide is sourced from PubChem (CID 97394924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).