[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C17H27N3O4 — CID 72857497

IUPAC[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC(O)(CN2CCOCC2)C(C)(C)C1
InChIInChI=1S/C17H27N3O4/c1-13-14(10-18-24-13)15(21)20-5-4-17(22,16(2,3)11-20)12-19-6-8-23-9-7-19/h10,22H,4-9,11-12H2,1-3H3
InChIKeyCLGDMSUWGPUVJL-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.92
Rot. Bonds3

About [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 72857497) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID72857497
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC(O)(CN2CCOCC2)C(C)(C)C1
InChIInChI=1S/C17H27N3O4/c1-13-14(10-18-24-13)15(21)20-5-4-17(22,16(2,3)11-20)12-19-6-8-23-9-7-19/h10,22H,4-9,11-12H2,1-3H3
InChIKeyCLGDMSUWGPUVJL-UHFFFAOYSA-N
XLogP0.92
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 72857497) is [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CCC(O)(CN2CCOCC2)C(C)(C)C1.
What is the InChIKey of [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is CLGDMSUWGPUVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-13-14(10-18-24-13)15(21)20-5-4-17(22,16(2,3)11-20)12-19-6-8-23-9-7-19/h10,22H,4-9,11-12H2,1-3H3.
What are the key properties of [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 337.42 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 72857497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).