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

C20H28N4O4S2 — CID 55718864

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
SMILESCc1noc(C)c1CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C20H28N4O4S2/c1-15-18(16(2)28-21-15)14-22-8-10-23(11-9-22)20(25)17-5-3-7-24(13-17)30(26,27)19-6-4-12-29-19/h4,6,12,17H,3,5,7-11,13-14H2,1-2H3
InChIKeyOUJVQAIRBNTCOE-UHFFFAOYSA-N
MW452.60 g/mol
LogP2.10
Rot. Bonds5

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

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone (PubChem CID 55718864) has the molecular formula C20H28N4O4S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
PubChem CID55718864
Molecular FormulaC20H28N4O4S2
Molecular Weight452.60 g/mol
Exact Mass452.16
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
SMILESCc1noc(C)c1CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C20H28N4O4S2/c1-15-18(16(2)28-21-15)14-22-8-10-23(11-9-22)20(25)17-5-3-7-24(13-17)30(26,27)19-6-4-12-29-19/h4,6,12,17H,3,5,7-11,13-14H2,1-2H3
InChIKeyOUJVQAIRBNTCOE-UHFFFAOYSA-N
XLogP2.10
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 30124703
[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 31383525
1-pyrrolidin-1-yl-2-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 41074973
N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55447148
1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 94124960
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
N-propyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55415067
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 92802348

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone (CID 55718864) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone is Cc1noc(C)c1CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The InChIKey is OUJVQAIRBNTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S2/c1-15-18(16(2)28-21-15)14-22-8-10-23(11-9-22)20(25)17-5-3-7-24(13-17)30(26,27)19-6-4-12-29-19/h4,6,12,17H,3,5,7-11,13-14H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone has a molecular weight of 452.60 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 55718864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).