N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide

C15H22N4O3 — CID 97487333

IUPACN-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCNC(=O)CO[C@H]1COC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H22N4O3/c1-16-13(20)11-21-12-9-15(22-10-12)3-7-19(8-4-15)14-17-5-2-6-18-14/h2,5-6,12H,3-4,7-11H2,1H3,(H,16,20)/t12-/m1/s1
InChIKeyNUHZVUCQSXUSQD-GFCCVEGCSA-N
MW306.37 g/mol
LogP0.37
Rot. Bonds4

About N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide

N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide (PubChem CID 97487333) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
PubChem CID97487333
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCNC(=O)CO[C@H]1COC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H22N4O3/c1-16-13(20)11-21-12-9-15(22-10-12)3-7-19(8-4-15)14-17-5-2-6-18-14/h2,5-6,12H,3-4,7-11H2,1H3,(H,16,20)/t12-/m1/s1
InChIKeyNUHZVUCQSXUSQD-GFCCVEGCSA-N
XLogP0.37
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371198
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-[[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-methyl-2-[[7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071038
N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394281
N-methyl-2-[[(3S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 131652996
2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 97394924
(3R)-3-[(6-methyl-2-pyridinyl)methoxy]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97474544
N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 134078949

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The IUPAC name of N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide (CID 97487333) is N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide.
What is the SMILES notation for N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The canonical SMILES for N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide is CNC(=O)CO[C@H]1COC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The InChIKey is NUHZVUCQSXUSQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-16-13(20)11-21-12-9-15(22-10-12)3-7-19(8-4-15)14-17-5-2-6-18-14/h2,5-6,12H,3-4,7-11H2,1H3,(H,16,20)/t12-/m1/s1.
What are the key properties of N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide is sourced from PubChem (CID 97487333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).