[6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

C15H22N4O4 — CID 155498445

IUPAC[6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cncc(N2CC[C@H](CO)[C@@H](O)C2)n1)N1CCOCC1
InChIInChI=1S/C15H22N4O4/c20-10-11-1-2-19(9-13(11)21)14-8-16-7-12(17-14)15(22)18-3-5-23-6-4-18/h7-8,11,13,20-21H,1-6,9-10H2/t11-,13+/m1/s1
InChIKeyAXLPWDUXUZCXOE-YPMHNXCESA-N
MW322.37 g/mol
LogP-0.87
Rot. Bonds3

About [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone

[6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 155498445) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID155498445
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name[6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cncc(N2CC[C@H](CO)[C@@H](O)C2)n1)N1CCOCC1
InChIInChI=1S/C15H22N4O4/c20-10-11-1-2-19(9-13(11)21)14-8-16-7-12(17-14)15(22)18-3-5-23-6-4-18/h7-8,11,13,20-21H,1-6,9-10H2/t11-,13+/m1/s1
InChIKeyAXLPWDUXUZCXOE-YPMHNXCESA-N
XLogP-0.87
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[6-(2-cyclopropylmorpholin-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 131932483
[6-[(4R)-4-aminoazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 95725216
[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 156606651
[6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 56865396
morpholin-4-yl-[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanone
CID 56872166
pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
CID 56864446
morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone
CID 97192527
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
(1S,6R)-9-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50958440
(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 106551253
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
[6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 72904435

Frequently Asked Questions

What is the IUPAC name of [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 155498445) is [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is O=C(c1cncc(N2CC[C@H](CO)[C@@H](O)C2)n1)N1CCOCC1.
What is the InChIKey of [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AXLPWDUXUZCXOE-YPMHNXCESA-N. The full InChI is InChI=1S/C15H22N4O4/c20-10-11-1-2-19(9-13(11)21)14-8-16-7-12(17-14)15(22)18-3-5-23-6-4-18/h7-8,11,13,20-21H,1-6,9-10H2/t11-,13+/m1/s1.
What are the key properties of [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone?
[6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 322.37 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155498445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).