2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone

C17H28N4O2 — CID 86780296

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H28N4O2/c1-13-16(14(2)23-19-13)11-17(22)21-9-7-20(8-10-21)12-15-3-5-18-6-4-15/h15,18H,3-12H2,1-2H3
InChIKeyITPIMBGXMZSBMK-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.98
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 86780296) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone
PubChem CID86780296
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C17H28N4O2/c1-13-16(14(2)23-19-13)11-17(22)21-9-7-20(8-10-21)12-15-3-5-18-6-4-15/h15,18H,3-12H2,1-2H3
InChIKeyITPIMBGXMZSBMK-UHFFFAOYSA-N
XLogP0.98
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 9363431
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506533
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]ethanone
CID 164688914
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]ethanone
CID 110252871
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 146064499
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide
CID 146122605
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83484496
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]ethanone
CID 96558318
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114163

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone (CID 86780296) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is ITPIMBGXMZSBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-16(14(2)23-19-13)11-17(22)21-9-7-20(8-10-21)12-15-3-5-18-6-4-15/h15,18H,3-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 320.44 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86780296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).