[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone

C19H24N6O2S — CID 92632709

IUPAC[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csnn3)CC2)cn1
InChIInChI=1S/C19H24N6O2S/c1-13-10-21-15(11-20-13)19(27)25-7-3-2-4-17(25)14-5-8-24(9-6-14)18(26)16-12-28-23-22-16/h10-12,14,17H,2-9H2,1H3/t17-/m1/s1
InChIKeyGQXYGUAICRLYCW-QGZVFWFLSA-N
MW400.51 g/mol
LogP2.18
Rot. Bonds3

About [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone

[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 92632709) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID92632709
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csnn3)CC2)cn1
InChIInChI=1S/C19H24N6O2S/c1-13-10-21-15(11-20-13)19(27)25-7-3-2-4-17(25)14-5-8-24(9-6-14)18(26)16-12-28-23-22-16/h10-12,14,17H,2-9H2,1H3/t17-/m1/s1
InChIKeyGQXYGUAICRLYCW-QGZVFWFLSA-N
XLogP2.18
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone with MolForge

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Related Compounds

1-methyl-5-[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]pyridin-2-one
CID 92632753
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
[(3aS,7aS)-5-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(thiadiazol-4-yl)methanone
CID 131689115
2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79553480
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone
CID 131686042
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile
CID 114031881
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689002
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-chloropyrazin-2-yl)methanone
CID 107257889
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
CID 131683997

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone (CID 92632709) is [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone is Cc1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3csnn3)CC2)cn1.
What is the InChIKey of [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is GQXYGUAICRLYCW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-13-10-21-15(11-20-13)19(27)25-7-3-2-4-17(25)14-5-8-24(9-6-14)18(26)16-12-28-23-22-16/h10-12,14,17H,2-9H2,1H3/t17-/m1/s1.
What are the key properties of [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone?
[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 400.51 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 92632709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).