1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone

C13H22N2O3 — CID 118738941

IUPAC1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C13H22N2O3/c16-12(11-2-1-8-17-11)15-6-3-13(4-7-15)10-14-5-9-18-13/h11,14H,1-10H2
InChIKeyLMNPDDGGXGAXCZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.15
Rot. Bonds1

About 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone

1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone (PubChem CID 118738941) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone.

Molecular Properties

Compound Name1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone
PubChem CID118738941
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C13H22N2O3/c16-12(11-2-1-8-17-11)15-6-3-13(4-7-15)10-14-5-9-18-13/h11,14H,1-10H2
InChIKeyLMNPDDGGXGAXCZ-UHFFFAOYSA-N
XLogP0.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Tetrahydro-2-furoyl)piperazine
CID 2734641
1-(2-Tetrahydrofuroyl)piperazine hydrobromide
CID 16217252
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide
CID 71863296
N,N-diethyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 118741574
1-((Tetrahydrofuran-2-yl)carbonyl)piperazine, (2R)-
CID 7168208
1-(Oxolane-2-carbonyl)piperidine-4-carboxamide
CID 17312130
(2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide
CID 27212432
N,N-diethyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;hydrochloride
CID 118741573
(2,6-Dimethylmorpholin-4-yl)-(4-methoxypiperidin-4-yl)methanone
CID 119669794
(2S)-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 164641031
1-((Tetrahydrofuran-2-yl)carbonyl)piperazine, (2S)-
CID 7019013
[(2S)-oxolan-2-yl]-piperazin-4-ium-1-ylmethanone
CID 7019012

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone?
The IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone (CID 118738941) is 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone.
What is the SMILES notation for 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone?
The canonical SMILES for 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC2(CC1)CNCCO2.
What is the InChIKey of 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone?
The InChIKey is LMNPDDGGXGAXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(11-2-1-8-17-11)15-6-3-13(4-7-15)10-14-5-9-18-13/h11,14H,1-10H2.
What are the key properties of 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone?
1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone has a molecular weight of 254.33 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(oxolan-2-yl)methanone is sourced from PubChem (CID 118738941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).