[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone

C14H19N3O2 — CID 97488597

IUPAC[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
SMILESC[C@H]1CO[C@]2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C14H19N3O2/c1-11-7-14(19-9-11)3-2-6-17(10-14)13(18)12-8-15-4-5-16-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3/t11-,14-/m1/s1
InChIKeyHWWKJBCZDDOBDT-BXUZGUMPSA-N
MW261.32 g/mol
LogP1.51
Rot. Bonds1

About [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone

[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone (PubChem CID 97488597) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
PubChem CID97488597
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
SMILESC[C@H]1CO[C@]2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C14H19N3O2/c1-11-7-14(19-9-11)3-2-6-17(10-14)13(18)12-8-15-4-5-16-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3/t11-,14-/m1/s1
InChIKeyHWWKJBCZDDOBDT-BXUZGUMPSA-N
XLogP1.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419587
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 110141838
(3-methylcyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688422
pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371619
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837773
pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688428
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
pyridin-2-yl-[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134079023
1-[(6R)-4-(pyrazine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97415961

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone (CID 97488597) is [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone is C[C@H]1CO[C@]2(CCCN(C(=O)c3cnccn3)C2)C1.
What is the InChIKey of [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone?
The InChIKey is HWWKJBCZDDOBDT-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-7-14(19-9-11)3-2-6-17(10-14)13(18)12-8-15-4-5-16-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3/t11-,14-/m1/s1.
What are the key properties of [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone?
[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone has a molecular weight of 261.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97488597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).