5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone

C12H20N2O2 — CID 138039435

IUPAC5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone
SMILESO=C(C1CC12CCNC2)N1CCCOCC1
InChIInChI=1S/C12H20N2O2/c15-11(14-4-1-6-16-7-5-14)10-8-12(10)2-3-13-9-12/h10,13H,1-9H2
InChIKeyTWYLRCBSWYCJRS-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.23
Rot. Bonds1

About 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone

5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone (PubChem CID 138039435) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone
PubChem CID138039435
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone
SMILESO=C(C1CC12CCNC2)N1CCCOCC1
InChIInChI=1S/C12H20N2O2/c15-11(14-4-1-6-16-7-5-14)10-8-12(10)2-3-13-9-12/h10,13H,1-9H2
InChIKeyTWYLRCBSWYCJRS-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-azaspiro[2.4]heptan-2-yl(pyrrolidin-1-yl)methanone
CID 131208946
[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492765
5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane
CID 166116859
6-azaspiro[2.5]octan-2-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103872611
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120905036
5-oxa-8-azaspiro[2.6]nonan-8-yl(spiro[2.4]heptan-2-yl)methanone
CID 127807974
(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone
CID 102628805
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355935
6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409039
2,2-dimethyl-3-(1,4-oxazepane-4-carbonyl)cyclopropane-1-carboxylic acid
CID 64834867

Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone?
The IUPAC name of 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone (CID 138039435) is 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone is O=C(C1CC12CCNC2)N1CCCOCC1.
What is the InChIKey of 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone?
The InChIKey is TWYLRCBSWYCJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11(14-4-1-6-16-7-5-14)10-8-12(10)2-3-13-9-12/h10,13H,1-9H2.
What are the key properties of 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone?
5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone has a molecular weight of 224.30 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 138039435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).