1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone

C16H18N4O3 — CID 35371042

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cncn2)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18N4O3/c21-15(19-7-5-16(6-8-19)22-9-10-23-16)13-1-3-14(4-2-13)20-12-17-11-18-20/h1-4,11-12H,5-10H2
InChIKeyDYLFRXXYKITFLR-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.25
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 35371042) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID35371042
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cncn2)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H18N4O3/c21-15(19-7-5-16(6-8-19)22-9-10-23-16)13-1-3-14(4-2-13)20-12-17-11-18-20/h1-4,11-12H,5-10H2
InChIKeyDYLFRXXYKITFLR-UHFFFAOYSA-N
XLogP1.25
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 154802849
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 46511091
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
[4-(4-nitrophenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 26781797
4-[4-(1,2,4-triazol-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 122146530
[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
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109047737
(4-tert-butylphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 90510436
ethyl 5-amino-1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrazole-4-carboxylate
CID 22585703
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrrol-3-yl)methanone
CID 110691096
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone (CID 35371042) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2cncn2)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is DYLFRXXYKITFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15(19-7-5-16(6-8-19)22-9-10-23-16)13-1-3-14(4-2-13)20-12-17-11-18-20/h1-4,11-12H,5-10H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 314.34 g/mol, XLogP of 1.25, 2 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-[4-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 35371042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).