1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone

C17H27NO3 — CID 127875131

IUPAC1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone
SMILESO=C(C1CC12CCOC2)N1CCOC2(CCCCCC2)C1
InChIInChI=1S/C17H27NO3/c19-15(14-11-16(14)7-9-20-13-16)18-8-10-21-17(12-18)5-3-1-2-4-6-17/h14H,1-13H2
InChIKeyHTXBRCOIKQBGDH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.36
Rot. Bonds1

About 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone

1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone (PubChem CID 127875131) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone.

Molecular Properties

Compound Name1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone
PubChem CID127875131
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone
SMILESO=C(C1CC12CCOC2)N1CCOC2(CCCCCC2)C1
InChIInChI=1S/C17H27NO3/c19-15(14-11-16(14)7-9-20-13-16)18-8-10-21-17(12-18)5-3-1-2-4-6-17/h14H,1-13H2
InChIKeyHTXBRCOIKQBGDH-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxa-8-azaspiro[2.6]nonan-8-yl(spiro[2.4]heptan-2-yl)methanone
CID 127807974
2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
CID 122134891
cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
CID 102553114
1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
CID 99838429
N-cyclohexyl-1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidine-4-carboxamide
CID 136531455
(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134875
[(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone
CID 138016083
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232339
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232340
6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 155905775
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
1-(4-ethylpiperazin-1-yl)-2-[1-(5-oxaspiro[2.4]heptane-2-carbonyl)piperidin-4-yl]ethanone
CID 127874845

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone?
The IUPAC name of 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone (CID 127875131) is 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone.
What is the SMILES notation for 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone?
The canonical SMILES for 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone is O=C(C1CC12CCOC2)N1CCOC2(CCCCCC2)C1.
What is the InChIKey of 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone?
The InChIKey is HTXBRCOIKQBGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c19-15(14-11-16(14)7-9-20-13-16)18-8-10-21-17(12-18)5-3-1-2-4-6-17/h14H,1-13H2.
What are the key properties of 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone?
1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone has a molecular weight of 293.41 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone is sourced from PubChem (CID 127875131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).