[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C16H25N5O3 — CID 100657258

IUPAC[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cncc(O[C@@H]2CCCN(C(=O)N3CCN(C)CC3)C2)n1
InChIInChI=1S/C16H25N5O3/c1-19-6-8-20(9-7-19)16(22)21-5-3-4-13(12-21)24-15-11-17-10-14(18-15)23-2/h10-11,13H,3-9,12H2,1-2H3/t13-/m1/s1
InChIKeyHOQPNSNYPQXNPO-CYBMUJFWSA-N
MW335.41 g/mol
LogP0.70
Rot. Bonds3

About [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 100657258) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID100657258
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cncc(O[C@@H]2CCCN(C(=O)N3CCN(C)CC3)C2)n1
InChIInChI=1S/C16H25N5O3/c1-19-6-8-20(9-7-19)16(22)21-5-3-4-13(12-21)24-15-11-17-10-14(18-15)23-2/h10-11,13H,3-9,12H2,1-2H3/t13-/m1/s1
InChIKeyHOQPNSNYPQXNPO-CYBMUJFWSA-N
XLogP0.70
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(E)-1-[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]but-2-en-1-one
CID 91628176
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 122258109
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 91628219
(4-methylpiperazin-1-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100643728
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]methanone
CID 100656424
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
1-[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-ylethanone
CID 100656722
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 91628208
2-cyclohexyl-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 100613496
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]ethanone
CID 100656616

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 100657258) is [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is COc1cncc(O[C@@H]2CCCN(C(=O)N3CCN(C)CC3)C2)n1.
What is the InChIKey of [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HOQPNSNYPQXNPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-19-6-8-20(9-7-19)16(22)21-5-3-4-13(12-21)24-15-11-17-10-14(18-15)23-2/h10-11,13H,3-9,12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 100657258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).