1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone

C17H28N4O3 — CID 94382598

IUPAC1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
SMILESCc1noc(C)c1CN1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C17H28N4O3/c1-13-16(14(2)24-18-13)11-19-6-8-21(9-7-19)17(23)12-20-5-3-4-15(22)10-20/h15,22H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyYBDRYTAXPUZGLI-OAHLLOKOSA-N
MW336.44 g/mol
LogP0.39
Rot. Bonds4

About 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 94382598) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
PubChem CID94382598
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
SMILESCc1noc(C)c1CN1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C17H28N4O3/c1-13-16(14(2)24-18-13)11-19-6-8-21(9-7-19)17(23)12-20-5-3-4-15(22)10-20/h15,22H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyYBDRYTAXPUZGLI-OAHLLOKOSA-N
XLogP0.39
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 111427223
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110646579
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110646581
1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 94124960
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119857214
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-ethylbutan-1-one
CID 110646586
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 146064499

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone (CID 94382598) is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone is Cc1noc(C)c1CN1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1.
What is the InChIKey of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is YBDRYTAXPUZGLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13-16(14(2)24-18-13)11-19-6-8-21(9-7-19)17(23)12-20-5-3-4-15(22)10-20/h15,22H,3-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 336.44 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 94382598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).