[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone

C26H34N4O4 — CID 124974183

IUPAC[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone
SMILESCc1ccc(Oc2nccnc2C2CCN(C(=O)[C@@H]3COCCN3C3CCOCC3)CC2)cc1
InChIInChI=1S/C26H34N4O4/c1-19-2-4-22(5-3-19)34-25-24(27-10-11-28-25)20-6-12-29(13-7-20)26(31)23-18-33-17-14-30(23)21-8-15-32-16-9-21/h2-5,10-11,20-21,23H,6-9,12-18H2,1H3/t23-/m0/s1
InChIKeyKOXWJVMXPKPZTO-QHCPKHFHSA-N
MW466.58 g/mol
LogP3.16
Rot. Bonds5

About [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone

[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone (PubChem CID 124974183) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone.

Molecular Properties

Compound Name[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone
PubChem CID124974183
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone
SMILESCc1ccc(Oc2nccnc2C2CCN(C(=O)[C@@H]3COCCN3C3CCOCC3)CC2)cc1
InChIInChI=1S/C26H34N4O4/c1-19-2-4-22(5-3-19)34-25-24(27-10-11-28-25)20-6-12-29(13-7-20)26(31)23-18-33-17-14-30(23)21-8-15-32-16-9-21/h2-5,10-11,20-21,23H,6-9,12-18H2,1H3/t23-/m0/s1
InChIKeyKOXWJVMXPKPZTO-QHCPKHFHSA-N
XLogP3.16
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822826
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823451
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822817
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
2-(3-fluorophenoxy)-3-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
CID 95823060
2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822508
[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 129453578
[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone
CID 124975201

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone?
The IUPAC name of [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone (CID 124974183) is [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone.
What is the SMILES notation for [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone?
The canonical SMILES for [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone is Cc1ccc(Oc2nccnc2C2CCN(C(=O)[C@@H]3COCCN3C3CCOCC3)CC2)cc1.
What is the InChIKey of [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone?
The InChIKey is KOXWJVMXPKPZTO-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-19-2-4-22(5-3-19)34-25-24(27-10-11-28-25)20-6-12-29(13-7-20)26(31)23-18-33-17-14-30(23)21-8-15-32-16-9-21/h2-5,10-11,20-21,23H,6-9,12-18H2,1H3/t23-/m0/s1.
What are the key properties of [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone?
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone has a molecular weight of 466.58 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone is sourced from PubChem (CID 124974183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).