1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone

C11H16N4O3 — CID 110691585

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C11H16N4O3/c1-14-8-9(12-13-14)10(16)15-4-2-11(3-5-15)17-6-7-18-11/h8H,2-7H2,1H3
InChIKeyBLOBRYVKDHTBEV-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.21
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone (PubChem CID 110691585) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
PubChem CID110691585
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C11H16N4O3/c1-14-8-9(12-13-14)10(16)15-4-2-11(3-5-15)17-6-7-18-11/h8H,2-7H2,1H3
InChIKeyBLOBRYVKDHTBEV-UHFFFAOYSA-N
XLogP-0.21
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109096677
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
CID 57299286
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 164663089
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
CID 110461894
[4-(dimethylamino)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 110471518
(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 110436926
N-tert-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109098849
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789289
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392836
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrrol-3-yl)methanone
CID 110691096

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone (CID 110691585) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone is Cn1cc(C(=O)N2CCC3(CC2)OCCO3)nn1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone?
The InChIKey is BLOBRYVKDHTBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14-8-9(12-13-14)10(16)15-4-2-11(3-5-15)17-6-7-18-11/h8H,2-7H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone has a molecular weight of 252.27 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 110691585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).