3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one

C17H24N4O2 — CID 129343468

IUPAC3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCCc1ccc(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)o1
InChIInChI=1S/C17H24N4O2/c1-3-14-6-7-15(23-14)11-19-13-5-4-9-21(12-13)16-17(22)20(2)10-8-18-16/h6-8,10,13,19H,3-5,9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyWUQXWDWXOAYJJY-ZDUSSCGKSA-N
MW316.41 g/mol
LogP1.69
Rot. Bonds5

About 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 129343468) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID129343468
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCCc1ccc(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)o1
InChIInChI=1S/C17H24N4O2/c1-3-14-6-7-15(23-14)11-19-13-5-4-9-21(12-13)16-17(22)20(2)10-8-18-16/h6-8,10,13,19H,3-5,9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyWUQXWDWXOAYJJY-ZDUSSCGKSA-N
XLogP1.69
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[(3S)-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129342215
1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129344132
5-[[[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]amino]methyl]thiophene-3-carbonitrile
CID 129343150
1-methyl-3-[(3S)-3-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129338112
3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129474458
3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128965839
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one
CID 129474978
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea
CID 128965407
4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 129476266
3-[(3S)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129473045

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 129343468) is 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one is CCc1ccc(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)o1.
What is the InChIKey of 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is WUQXWDWXOAYJJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-14-6-7-15(23-14)11-19-13-5-4-9-21(12-13)16-17(22)20(2)10-8-18-16/h6-8,10,13,19H,3-5,9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 129343468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).