1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone

C18H23N5O2 — CID 154870166

IUPAC1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-n2cnnc2)cc1)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C18H23N5O2/c24-17(22-9-10-25-18(12-22)5-7-19-8-6-18)11-15-1-3-16(4-2-15)23-13-20-21-14-23/h1-4,13-14,19H,5-12H2
InChIKeyLXYPYMPMGWARCT-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.79
Rot. Bonds3

About 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone

1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone (PubChem CID 154870166) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
PubChem CID154870166
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-n2cnnc2)cc1)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C18H23N5O2/c24-17(22-9-10-25-18(12-22)5-7-19-8-6-18)11-15-1-3-16(4-2-15)23-13-20-21-14-23/h1-4,13-14,19H,5-12H2
InChIKeyLXYPYMPMGWARCT-UHFFFAOYSA-N
XLogP0.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one
CID 154922136
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 138380259
N-[3-[4-[2-(4-hydroxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]acetamide
CID 134788616
(2-chlorophenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 97449217
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone
CID 131932995
9-[2-(4-hydroxyphenyl)acetyl]-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 134788985
1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone
CID 134787981
1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
CID 136548773
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 58168456
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone (CID 154870166) is 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone is O=C(Cc1ccc(-n2cnnc2)cc1)N1CCOC2(CCNCC2)C1.
What is the InChIKey of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone?
The InChIKey is LXYPYMPMGWARCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(22-9-10-25-18(12-22)5-7-19-8-6-18)11-15-1-3-16(4-2-15)23-13-20-21-14-23/h1-4,13-14,19H,5-12H2.
What are the key properties of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone?
1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 154870166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).