(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone

C16H24N4O2 — CID 118738828

IUPAC(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone
SMILESCCN1CCOCC2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C16H24N4O2/c1-2-19-8-9-22-13-16(11-19)4-3-7-20(12-16)15(21)14-10-17-5-6-18-14/h5-6,10H,2-4,7-9,11-13H2,1H3
InChIKeyVWYPOARAKHEICS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.05
Rot. Bonds2

About (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone

(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone (PubChem CID 118738828) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone
PubChem CID118738828
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone
SMILESCCN1CCOCC2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C16H24N4O2/c1-2-19-8-9-22-13-16(11-19)4-3-7-20(12-16)15(21)14-10-17-5-6-18-14/h5-6,10H,2-4,7-9,11-13H2,1H3
InChIKeyVWYPOARAKHEICS-UHFFFAOYSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone (CID 118738828) is (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone is CCN1CCOCC2(CCCN(C(=O)c3cnccn3)C2)C1.
What is the InChIKey of (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone?
The InChIKey is VWYPOARAKHEICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-19-8-9-22-13-16(11-19)4-3-7-20(12-16)15(21)14-10-17-5-6-18-14/h5-6,10H,2-4,7-9,11-13H2,1H3.
What are the key properties of (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone?
(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 118738828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).