(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C20H26N4O — CID 97494806

IUPAC(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1ccc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)cc1
InChIInChI=1S/C20H26N4O/c1-2-5-18(6-3-1)14-23-10-4-7-20(15-23)16-24(11-12-25-17-20)19-13-21-8-9-22-19/h1-3,5-6,8-9,13H,4,7,10-12,14-17H2/t20-/m1/s1
InChIKeyKQWHWRTVAMZIKZ-HXUWFJFHSA-N
MW338.45 g/mol
LogP2.60
Rot. Bonds3

About (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494806) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97494806
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1ccc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)cc1
InChIInChI=1S/C20H26N4O/c1-2-5-18(6-3-1)14-23-10-4-7-20(15-23)16-24(11-12-25-17-20)19-13-21-8-9-22-19/h1-3,5-6,8-9,13H,4,7,10-12,14-17H2/t20-/m1/s1
InChIKeyKQWHWRTVAMZIKZ-HXUWFJFHSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651615
11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131659145
11-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 171697168
(6S)-11-pyrazin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494805
2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134070420
2-[(5-methylfuran-2-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131639945
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494863
2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
11-pyrazin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155841525
(6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494732
(6R)-11-(pyridin-2-ylmethyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494971
(6R)-11-ethyl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372880

Frequently Asked Questions

What is the IUPAC name of (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494806) is (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is c1ccc(CN2CCC[C@@]3(COCCN(c4cnccn4)C3)C2)cc1.
What is the InChIKey of (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is KQWHWRTVAMZIKZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-5-18(6-3-1)14-23-10-4-7-20(15-23)16-24(11-12-25-17-20)19-13-21-8-9-22-19/h1-3,5-6,8-9,13H,4,7,10-12,14-17H2/t20-/m1/s1.
What are the key properties of (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 338.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97494806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).