(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C25H27N5O3 — CID 110151084

IUPAC(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(N2CCOCC2)c1)N1CCCC(c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C25H27N5O3/c31-25(19-8-9-26-22(17-19)29-13-15-32-16-14-29)30-12-4-5-20(18-30)23-24(28-11-10-27-23)33-21-6-2-1-3-7-21/h1-3,6-11,17,20H,4-5,12-16,18H2
InChIKeyZHBFCDHHTAOQNZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.52
Rot. Bonds5

About (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 110151084) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID110151084
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(N2CCOCC2)c1)N1CCCC(c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C25H27N5O3/c31-25(19-8-9-26-22(17-19)29-13-15-32-16-14-29)30-12-4-5-20(18-30)23-24(28-11-10-27-23)33-21-6-2-1-3-7-21/h1-3,6-11,17,20H,4-5,12-16,18H2
InChIKeyZHBFCDHHTAOQNZ-UHFFFAOYSA-N
XLogP3.52
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 110150409
[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 110150697
(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129455687
[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 125016518
[4-(4-methoxyphenyl)oxan-4-yl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129459227
[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95822861
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124981897
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111
[(3S)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823148
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 129454072
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 110151084) is (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is O=C(c1ccnc(N2CCOCC2)c1)N1CCCC(c2nccnc2Oc2ccccc2)C1.
What is the InChIKey of (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZHBFCDHHTAOQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c31-25(19-8-9-26-22(17-19)29-13-15-32-16-14-29)30-12-4-5-20(18-30)23-24(28-11-10-27-23)33-21-6-2-1-3-7-21/h1-3,6-11,17,20H,4-5,12-16,18H2.
What are the key properties of (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 445.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110151084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).