2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C17H26N4O3 — CID 87017637

IUPAC2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)N3CCC(C)CC3)CC2)on1
InChIInChI=1S/C17H26N4O3/c1-13-3-5-20(6-4-13)16(22)12-19-7-9-21(10-8-19)17(23)15-11-14(2)18-24-15/h11,13H,3-10,12H2,1-2H3
InChIKeyUDCBQVKYTBAONZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.00
Rot. Bonds3

About 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 87017637) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID87017637
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)N3CCC(C)CC3)CC2)on1
InChIInChI=1S/C17H26N4O3/c1-13-3-5-20(6-4-13)16(22)12-19-7-9-21(10-8-19)17(23)15-11-14(2)18-24-15/h11,13H,3-10,12H2,1-2H3
InChIKeyUDCBQVKYTBAONZ-UHFFFAOYSA-N
XLogP1.00
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 127883238
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 55839140
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(3-methyl-1,2-oxazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94021683
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
2-(1-aminocyclobutyl)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 91645490
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 87017637) is 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is Cc1cc(C(=O)N2CCN(CC(=O)N3CCC(C)CC3)CC2)on1.
What is the InChIKey of 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is UDCBQVKYTBAONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13-3-5-20(6-4-13)16(22)12-19-7-9-21(10-8-19)17(23)15-11-14(2)18-24-15/h11,13H,3-10,12H2,1-2H3.
What are the key properties of 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 334.42 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 87017637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).