3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

C20H33N3O3 — CID 154579670

IUPAC3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CN(C(=O)CN2CCOCC2)CC12CCC2)N1CCCC1
InChIInChI=1S/C20H33N3O3/c24-18(22-8-1-2-9-22)5-4-17-14-23(16-20(17)6-3-7-20)19(25)15-21-10-12-26-13-11-21/h17H,1-16H2
InChIKeyFFDQEHRYHIQEAL-UHFFFAOYSA-N
MW363.50 g/mol
LogP1.35
Rot. Bonds5

About 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 154579670) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID154579670
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CN(C(=O)CN2CCOCC2)CC12CCC2)N1CCCC1
InChIInChI=1S/C20H33N3O3/c24-18(22-8-1-2-9-22)5-4-17-14-23(16-20(17)6-3-7-20)19(25)15-21-10-12-26-13-11-21/h17H,1-16H2
InChIKeyFFDQEHRYHIQEAL-UHFFFAOYSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(2-cyclopropylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579663
4-methyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]pentan-1-one
CID 154579649
3-cyclohexyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 154579640
3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579644
3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
CID 154579718
1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one
CID 154579691
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579662
3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579648
3-[6-(3-methoxybenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579632
4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
CID 86915832
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 154579670) is 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CN(C(=O)CN2CCOCC2)CC12CCC2)N1CCCC1.
What is the InChIKey of 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FFDQEHRYHIQEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c24-18(22-8-1-2-9-22)5-4-17-14-23(16-20(17)6-3-7-20)19(25)15-21-10-12-26-13-11-21/h17H,1-16H2.
What are the key properties of 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 363.50 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-morpholin-4-ylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 154579670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).