(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone

C17H27N3O3 — CID 91907738

IUPAC(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone
SMILESCCOC1CCOC2(CCN(C(=O)c3ccn(CC)n3)CC2)C1
InChIInChI=1S/C17H27N3O3/c1-3-20-9-5-15(18-20)16(21)19-10-7-17(8-11-19)13-14(22-4-2)6-12-23-17/h5,9,14H,3-4,6-8,10-13H2,1-2H3
InChIKeyGRAWWGBALLLIQZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.09
Rot. Bonds4

About (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone

(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone (PubChem CID 91907738) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone
PubChem CID91907738
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone
SMILESCCOC1CCOC2(CCN(C(=O)c3ccn(CC)n3)CC2)C1
InChIInChI=1S/C17H27N3O3/c1-3-20-9-5-15(18-20)16(21)19-10-7-17(8-11-19)13-14(22-4-2)6-12-23-17/h5,9,14H,3-4,6-8,10-13H2,1-2H3
InChIKeyGRAWWGBALLLIQZ-UHFFFAOYSA-N
XLogP2.09
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone (CID 91907738) is (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone is CCOC1CCOC2(CCN(C(=O)c3ccn(CC)n3)CC2)C1.
What is the InChIKey of (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is GRAWWGBALLLIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-20-9-5-15(18-20)16(21)19-10-7-17(8-11-19)13-14(22-4-2)6-12-23-17/h5,9,14H,3-4,6-8,10-13H2,1-2H3.
What are the key properties of (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone?
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 91907738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).