[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C18H24N4O2S — CID 167921537

IUPAC[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCN1CCCC(N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)C1
InChIInChI=1S/C18H24N4O2S/c1-20-6-2-4-14(13-20)21-7-9-22(10-8-21)18(23)15-12-16(24-19-15)17-5-3-11-25-17/h3,5,11-12,14H,2,4,6-10,13H2,1H3
InChIKeyXQNGIYXUKFVZFY-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.26
Rot. Bonds3

About [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 167921537) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID167921537
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCN1CCCC(N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)C1
InChIInChI=1S/C18H24N4O2S/c1-20-6-2-4-14(13-20)21-7-9-22(10-8-21)18(23)15-12-16(24-19-15)17-5-3-11-25-17/h3,5,11-12,14H,2,4,6-10,13H2,1H3
InChIKeyXQNGIYXUKFVZFY-UHFFFAOYSA-N
XLogP2.26
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

cyclohexyl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 128950819
(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 80706468
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
furan-3-yl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 32534308
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 103726970
(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 18133672
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 122348479
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 55529250
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 51304688
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-5-(3-methyl-1,2-oxazol-5-yl)-6-thiophen-2-ylpyridazin-3-one
CID 110215136

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 167921537) is [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is CN1CCCC(N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)C1.
What is the InChIKey of [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is XQNGIYXUKFVZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-20-6-2-4-14(13-20)21-7-9-22(10-8-21)18(23)15-12-16(24-19-15)17-5-3-11-25-17/h3,5,11-12,14H,2,4,6-10,13H2,1H3.
What are the key properties of [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 360.48 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpiperidin-3-yl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 167921537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).