1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone

C18H28N4O2 — CID 119067951

IUPAC1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone
SMILESO=C(Cn1ccc(C2CCCNC2)n1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C18H28N4O2/c23-17(21-10-11-24-18(14-21)6-1-2-7-18)13-22-9-5-16(20-22)15-4-3-8-19-12-15/h5,9,15,19H,1-4,6-8,10-14H2
InChIKeyFTDCSEHSKVLJBL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.52
Rot. Bonds3

About 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone

1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone (PubChem CID 119067951) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone
PubChem CID119067951
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone
SMILESO=C(Cn1ccc(C2CCCNC2)n1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C18H28N4O2/c23-17(21-10-11-24-18(14-21)6-1-2-7-18)13-22-9-5-16(20-22)15-4-3-8-19-12-15/h5,9,15,19H,1-4,6-8,10-14H2
InChIKeyFTDCSEHSKVLJBL-UHFFFAOYSA-N
XLogP1.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone (CID 119067951) is 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone is O=C(Cn1ccc(C2CCCNC2)n1)N1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone?
The InChIKey is FTDCSEHSKVLJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17(21-10-11-24-18(14-21)6-1-2-7-18)13-22-9-5-16(20-22)15-4-3-8-19-12-15/h5,9,15,19H,1-4,6-8,10-14H2.
What are the key properties of 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone?
1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone has a molecular weight of 332.45 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone is sourced from PubChem (CID 119067951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).