oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C21H25N3O3 — CID 95823108

IUPACoxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C21H25N3O3/c25-21(16-8-11-26-12-9-16)24-10-4-5-17(15-24)19-13-22-14-20(23-19)27-18-6-2-1-3-7-18/h1-3,6-7,13-14,16-17H,4-5,8-12,15H2/t17-/m1/s1
InChIKeyWQLATFJIOOEKLC-QGZVFWFLSA-N
MW367.45 g/mol
LogP3.40
Rot. Bonds4

About oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 95823108) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID95823108
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameoxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C21H25N3O3/c25-21(16-8-11-26-12-9-16)24-10-4-5-17(15-24)19-13-22-14-20(23-19)27-18-6-2-1-3-7-18/h1-3,6-7,13-14,16-17H,4-5,8-12,15H2/t17-/m1/s1
InChIKeyWQLATFJIOOEKLC-QGZVFWFLSA-N
XLogP3.40
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 110256583
(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129457217
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 124978644
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823449
[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110148953
N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 110148762
2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 110256592

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 95823108) is oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is O=C(C1CCOCC1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1.
What is the InChIKey of oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is WQLATFJIOOEKLC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-21(16-8-11-26-12-9-16)24-10-4-5-17(15-24)19-13-22-14-20(23-19)27-18-6-2-1-3-7-18/h1-3,6-7,13-14,16-17H,4-5,8-12,15H2/t17-/m1/s1.
What are the key properties of oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95823108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).