11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane

C16H26N4O — CID 97399396

IUPAC11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C16H26N4O/c1-14(2)20-9-10-21-13-16(12-20)3-7-19(8-4-16)15-11-17-5-6-18-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyFFFIHZFWUIXVBI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.80
Rot. Bonds2

About 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane

11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane (PubChem CID 97399396) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
PubChem CID97399396
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C16H26N4O/c1-14(2)20-9-10-21-13-16(12-20)3-7-19(8-4-16)15-11-17-5-6-18-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyFFFIHZFWUIXVBI-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane (CID 97399396) is 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane is CC(C)N1CCOCC2(CCN(c3cnccn3)CC2)C1.
What is the InChIKey of 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The InChIKey is FFFIHZFWUIXVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14(2)20-9-10-21-13-16(12-20)3-7-19(8-4-16)15-11-17-5-6-18-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane?
11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane has a molecular weight of 290.41 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propan-2-yl-3-pyrazin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97399396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).