2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

C19H24N4O2 — CID 95823499

IUPAC2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2C)C1
InChIInChI=1S/C19H24N4O2/c1-14-6-3-4-8-16(14)25-19-18(21-9-10-22-19)15-7-5-11-23(13-15)17(24)12-20-2/h3-4,6,8-10,15,20H,5,7,11-13H2,1-2H3/t15-/m1/s1
InChIKeyCQMVEEZXLVIEJG-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.50
Rot. Bonds5

About 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95823499) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95823499
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2C)C1
InChIInChI=1S/C19H24N4O2/c1-14-6-3-4-8-16(14)25-19-18(21-9-10-22-19)15-7-5-11-23(13-15)17(24)12-20-2/h3-4,6,8-10,15,20H,5,7,11-13H2,1-2H3/t15-/m1/s1
InChIKeyCQMVEEZXLVIEJG-OAHLLOKOSA-N
XLogP2.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide
CID 132767919
3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one
CID 95843540
[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110256626
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 125002633
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
[6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124960827
1-[3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256201
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
2-[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 95828024
2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823252
3-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 175654669

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95823499) is 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is CNCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2C)C1.
What is the InChIKey of 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is CQMVEEZXLVIEJG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-6-3-4-8-16(14)25-19-18(21-9-10-22-19)15-7-5-11-23(13-15)17(24)12-20-2/h3-4,6,8-10,15,20H,5,7,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95823499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).