1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

C13H20N4O — CID 95730767

IUPAC1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2nccnc2N(C)C)C1
InChIInChI=1S/C13H20N4O/c1-10(18)17-8-4-5-11(9-17)12-13(16(2)3)15-7-6-14-12/h6-7,11H,4-5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyMQCOVECIKKJKLS-NSHDSACASA-N
MW248.33 g/mol
LogP1.27
Rot. Bonds2

About 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95730767) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95730767
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2nccnc2N(C)C)C1
InChIInChI=1S/C13H20N4O/c1-10(18)17-8-4-5-11(9-17)12-13(16(2)3)15-7-6-14-12/h6-7,11H,4-5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyMQCOVECIKKJKLS-NSHDSACASA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-morpholin-4-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 110257328
1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124989647
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
1-[3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256201
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843049
1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110254201
1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone
CID 95841320
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95730767) is 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2nccnc2N(C)C)C1.
What is the InChIKey of 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is MQCOVECIKKJKLS-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)17-8-4-5-11(9-17)12-13(16(2)3)15-7-6-14-12/h6-7,11H,4-5,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95730767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).