3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one

C16H24N4O2 — CID 159889449

IUPAC3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one
SMILESCC(CC(=O)c1cnccn1)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C16H24N4O2/c1-11(9-15(21)14-10-18-5-6-19-14)13-3-7-20(8-4-13)16(22)12(2)17/h5-6,10-13H,3-4,7-9,17H2,1-2H3/t11?,12-/m0/s1
InChIKeyNUOCXQPTJLYFMG-KIYNQFGBSA-N
MW304.39 g/mol
LogP1.27
Rot. Bonds5

About 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one

3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one (PubChem CID 159889449) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one
PubChem CID159889449
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one
SMILESCC(CC(=O)c1cnccn1)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C16H24N4O2/c1-11(9-15(21)14-10-18-5-6-19-14)13-3-7-20(8-4-13)16(22)12(2)17/h5-6,10-13H,3-4,7-9,17H2,1-2H3/t11?,12-/m0/s1
InChIKeyNUOCXQPTJLYFMG-KIYNQFGBSA-N
XLogP1.27
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one
CID 159740350
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylpyrazol-3-yl)butan-1-one
CID 160603771
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylimidazol-2-yl)butan-1-one
CID 158996050
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one
CID 147903120
5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one
CID 152901113
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one
CID 147207500
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
CID 158638459
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride
CID 71644829

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one (CID 159889449) is 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one is CC(CC(=O)c1cnccn1)C1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one?
The InChIKey is NUOCXQPTJLYFMG-KIYNQFGBSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(9-15(21)14-10-18-5-6-19-14)13-3-7-20(8-4-13)16(22)12(2)17/h5-6,10-13H,3-4,7-9,17H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one?
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 159889449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).