1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one

C15H24N4O2 — CID 126797642

IUPAC1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one
SMILESO=C(CCCn1ccnn1)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C15H24N4O2/c20-14(2-1-8-19-11-7-16-17-19)18-9-3-15(4-10-18)5-12-21-13-6-15/h7,11H,1-6,8-10,12-13H2
InChIKeyZFLYISMGQKDUHE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.48
Rot. Bonds4

About 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one

1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one (PubChem CID 126797642) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one
PubChem CID126797642
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one
SMILESO=C(CCCn1ccnn1)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C15H24N4O2/c20-14(2-1-8-19-11-7-16-17-19)18-9-3-15(4-10-18)5-12-21-13-6-15/h7,11H,1-6,8-10,12-13H2
InChIKeyZFLYISMGQKDUHE-UHFFFAOYSA-N
XLogP1.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323391
1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43417117
4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 126804088
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43556263
6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
CID 114279188
3-methylsulfonyl-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 131900495
4-[[3-(triazol-1-yl)propanoylamino]methyl]oxane-4-carboxylic acid
CID 115438215
1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-4-(triazol-1-yl)butan-1-one
CID 97160938
1-[3-(triazol-1-yl)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709415
1-(3-hydroxyazetidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 63106204
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 63939062

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one?
The IUPAC name of 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one (CID 126797642) is 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one.
What is the SMILES notation for 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one?
The canonical SMILES for 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one is O=C(CCCn1ccnn1)N1CCC2(CCOCC2)CC1.
What is the InChIKey of 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one?
The InChIKey is ZFLYISMGQKDUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-14(2-1-8-19-11-7-16-17-19)18-9-3-15(4-10-18)5-12-21-13-6-15/h7,11H,1-6,8-10,12-13H2.
What are the key properties of 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one?
1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one is sourced from PubChem (CID 126797642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).