3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

C15H24N4O — CID 102612475

IUPAC3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nccnc1C(C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C15H24N4O/c1-12(15-13(2)17-8-9-18-15)16-7-6-14(20)19-10-4-3-5-11-19/h8-9,12,16H,3-7,10-11H2,1-2H3
InChIKeyQDGVUELDQHPWCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds5

About 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 102612475) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID102612475
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nccnc1C(C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C15H24N4O/c1-12(15-13(2)17-8-9-18-15)16-7-6-14(20)19-10-4-3-5-11-19/h8-9,12,16H,3-7,10-11H2,1-2H3
InChIKeyQDGVUELDQHPWCH-UHFFFAOYSA-N
XLogP1.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 112550351
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 64988779
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 102612483
1-piperidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 113260255
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103915795
1-[[1-(3-methylpyrazin-2-yl)ethylamino]methyl]cyclobutan-1-ol
CID 102612705
3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 43203461

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 102612475) is 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is Cc1nccnc1C(C)NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is QDGVUELDQHPWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(15-13(2)17-8-9-18-15)16-7-6-14(20)19-10-4-3-5-11-19/h8-9,12,16H,3-7,10-11H2,1-2H3.
What are the key properties of 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 102612475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).