[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone

C21H27N3O3 — CID 92574813

IUPAC[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1)N1CCC(O)CC1
InChIInChI=1S/C21H27N3O3/c25-18-8-11-24(12-9-18)21(26)20-13-19(22-27-20)17-7-4-10-23(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,13,17-18,25H,4,7-12,14-15H2/t17-/m1/s1
InChIKeyXMFSUMCJSGIIHU-QGZVFWFLSA-N
MW369.46 g/mol
LogP2.65
Rot. Bonds4

About [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone

[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 92574813) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID92574813
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1)N1CCC(O)CC1
InChIInChI=1S/C21H27N3O3/c25-18-8-11-24(12-9-18)21(26)20-13-19(22-27-20)17-7-4-10-23(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,13,17-18,25H,4,7-12,14-15H2/t17-/m1/s1
InChIKeyXMFSUMCJSGIIHU-QGZVFWFLSA-N
XLogP2.65
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92568123
[3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 92584153
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92599802
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
pyrrolidin-1-yl-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228870
pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92572169
(4-methylpiperidin-1-yl)-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228887
(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92584156
[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 92570029
[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 92570030
[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92574689

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 92574813) is [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1)N1CCC(O)CC1.
What is the InChIKey of [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is XMFSUMCJSGIIHU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-18-8-11-24(12-9-18)21(26)20-13-19(22-27-20)17-7-4-10-23(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,13,17-18,25H,4,7-12,14-15H2/t17-/m1/s1.
What are the key properties of [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 369.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 92574813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).