1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one

C12H22N2O2 — CID 165475741

IUPAC1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCCC(=O)N1CC(C)OC2(CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-3-11(15)14-8-10(2)16-12(9-14)4-6-13-7-5-12/h10,13H,3-9H2,1-2H3
InChIKeyWEPLLCOSMISUAH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds1

About 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one

1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one (PubChem CID 165475741) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one
PubChem CID165475741
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one
SMILESCCC(=O)N1CC(C)OC2(CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-3-11(15)14-8-10(2)16-12(9-14)4-6-13-7-5-12/h10,13H,3-9H2,1-2H3
InChIKeyWEPLLCOSMISUAH-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 165486972
4-butylsulfonyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 165475814
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
1-[3-(chloromethyl)-3,4-dimethylpyrrolidin-1-yl]propan-1-one
CID 164650053
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
7-ethyl-5-methyl-4-oxa-7-azaspiro[2.5]octane
CID 174254137
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
(2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one
CID 118562460
6-azaspiro[2.5]octan-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958673
4-[3-[(5R,7R)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-3-oxopropyl]benzoic acid
CID 129470656
1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone
CID 119036834

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one?
The IUPAC name of 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one (CID 165475741) is 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one?
The canonical SMILES for 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one is CCC(=O)N1CC(C)OC2(CCNCC2)C1.
What is the InChIKey of 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one?
The InChIKey is WEPLLCOSMISUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-11(15)14-8-10(2)16-12(9-14)4-6-13-7-5-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one?
1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)propan-1-one is sourced from PubChem (CID 165475741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).