N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide

C15H21N3O3 — CID 97394260

IUPACN-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCNC(=O)CO[C@@H]1CO[C@]2(CCN(c3cccnc3)C2)C1
InChIInChI=1S/C15H21N3O3/c1-16-14(19)10-20-13-7-15(21-9-13)4-6-18(11-15)12-3-2-5-17-8-12/h2-3,5,8,13H,4,6-7,9-11H2,1H3,(H,16,19)/t13-,15+/m0/s1
InChIKeyVOJGGCWQIHZPNK-DZGCQCFKSA-N
MW291.35 g/mol
LogP0.58
Rot. Bonds4

About N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide

N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (PubChem CID 97394260) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
PubChem CID97394260
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
SMILESCNC(=O)CO[C@@H]1CO[C@]2(CCN(c3cccnc3)C2)C1
InChIInChI=1S/C15H21N3O3/c1-16-14(19)10-20-13-7-15(21-9-13)4-6-18(11-15)12-3-2-5-17-8-12/h2-3,5,8,13H,4,6-7,9-11H2,1H3,(H,16,19)/t13-,15+/m0/s1
InChIKeyVOJGGCWQIHZPNK-DZGCQCFKSA-N
XLogP0.58
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395316
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
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,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394281
N-methyl-2-[[7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071038
N-methyl-2-[[(3R)-8-(5-methylpyrazine-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97394930
2-[[8-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 131652996
2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 97395317
(3S,5S)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155826260
2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 97394924

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The IUPAC name of N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide (CID 97394260) is N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide.
What is the SMILES notation for N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The canonical SMILES for N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is CNC(=O)CO[C@@H]1CO[C@]2(CCN(c3cccnc3)C2)C1.
What is the InChIKey of N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
The InChIKey is VOJGGCWQIHZPNK-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-14(19)10-20-13-7-15(21-9-13)4-6-18(11-15)12-3-2-5-17-8-12/h2-3,5,8,13H,4,6-7,9-11H2,1H3,(H,16,19)/t13-,15+/m0/s1.
What are the key properties of N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide?
N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(3S,5R)-7-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide is sourced from PubChem (CID 97394260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).