3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one

C22H28N4O3 — CID 110256583

IUPAC3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCOCC1)N1CCCC(c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C22H28N4O3/c27-22(8-10-25-11-13-28-14-12-25)26-9-4-5-18(17-26)20-15-23-16-21(24-20)29-19-6-2-1-3-7-19/h1-3,6-7,15-16,18H,4-5,8-14,17H2
InChIKeyXXNYNOSTMKCGTN-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.70
Rot. Bonds6

About 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one

3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110256583) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110256583
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCOCC1)N1CCCC(c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C22H28N4O3/c27-22(8-10-25-11-13-28-14-12-25)26-9-4-5-18(17-26)20-15-23-16-21(24-20)29-19-6-2-1-3-7-19/h1-3,6-7,15-16,18H,4-5,8-14,17H2
InChIKeyXXNYNOSTMKCGTN-UHFFFAOYSA-N
XLogP2.70
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129457217
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 124978644
2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823406
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 110256592
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one (CID 110256583) is 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one is O=C(CCN1CCOCC1)N1CCCC(c2cncc(Oc3ccccc3)n2)C1.
What is the InChIKey of 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is XXNYNOSTMKCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-22(8-10-25-11-13-28-14-12-25)26-9-4-5-18(17-26)20-15-23-16-21(24-20)29-19-6-2-1-3-7-19/h1-3,6-7,15-16,18H,4-5,8-14,17H2.
What are the key properties of 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 396.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110256583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).