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

C19H24N4O — CID 134070420

IUPAC2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1ccc(N2CCCC3(COCCN(c4cnccn4)C3)C2)cc1
InChIInChI=1S/C19H24N4O/c1-2-5-17(6-3-1)22-10-4-7-19(14-22)15-23(11-12-24-16-19)18-13-20-8-9-21-18/h1-3,5-6,8-9,13H,4,7,10-12,14-16H2
InChIKeyJCENQBLRFIKNKL-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.60
Rot. Bonds2

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

2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 134070420) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID134070420
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1ccc(N2CCCC3(COCCN(c4cnccn4)C3)C2)cc1
InChIInChI=1S/C19H24N4O/c1-2-5-17(6-3-1)22-10-4-7-19(14-22)15-23(11-12-24-16-19)18-13-20-8-9-21-18/h1-3,5-6,8-9,13H,4,7,10-12,14-16H2
InChIKeyJCENQBLRFIKNKL-UHFFFAOYSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494806
11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131659145
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
CID 97372938
(6R)-2-methylsulfonyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494819
(6S)-11-pyrazin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494805
(1-methylpyrrol-2-yl)-(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 131654156
2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651615
(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155864338
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-2-ylmethanone
CID 97372929
2-[(5-methylfuran-2-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131639945
11-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 171697168
11-pyrazin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155841525

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 134070420) is 2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is c1ccc(N2CCCC3(COCCN(c4cnccn4)C3)C2)cc1.
What is the InChIKey of 2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is JCENQBLRFIKNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-5-17(6-3-1)22-10-4-7-19(14-22)15-23(11-12-24-16-19)18-13-20-8-9-21-18/h1-3,5-6,8-9,13H,4,7,10-12,14-16H2.
What are the key properties of 2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 324.43 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134070420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).