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

C15H22N4O2 — CID 118745351

IUPAC(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone
SMILESCN1CCOCC2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C15H22N4O2/c1-18-7-8-21-12-15(10-18)3-2-6-19(11-15)14(20)13-9-16-4-5-17-13/h4-5,9H,2-3,6-8,10-12H2,1H3
InChIKeyPYDTZPVNIGJIFT-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.66
Rot. Bonds1

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

(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone (PubChem CID 118745351) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone
PubChem CID118745351
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone
SMILESCN1CCOCC2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C15H22N4O2/c1-18-7-8-21-12-15(10-18)3-2-6-19(11-15)14(20)13-9-16-4-5-17-13/h4-5,9H,2-3,6-8,10-12H2,1H3
InChIKeyPYDTZPVNIGJIFT-UHFFFAOYSA-N
XLogP0.66
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone (CID 118745351) is (11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone is CN1CCOCC2(CCCN(C(=O)c3cnccn3)C2)C1.
What is the InChIKey of (11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone?
The InChIKey is PYDTZPVNIGJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-7-8-21-12-15(10-18)3-2-6-19(11-15)14(20)13-9-16-4-5-17-13/h4-5,9H,2-3,6-8,10-12H2,1H3.
What are the key properties of (11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone?
(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone has a molecular weight of 290.37 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 118745351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).