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

C21H27N3O3 — CID 95220559

IUPAC[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C21H27N3O3/c25-18-8-11-23(12-9-18)15-19-13-20(22-27-19)21(26)24-10-4-7-17(14-24)16-5-2-1-3-6-16/h1-3,5-6,13,17-18,25H,4,7-12,14-15H2/t17-/m0/s1
InChIKeyRQTAZFFWCOJOPE-KRWDZBQOSA-N
MW369.46 g/mol
LogP2.65
Rot. Bonds4

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

[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone (PubChem CID 95220559) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
PubChem CID95220559
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C21H27N3O3/c25-18-8-11-23(12-9-18)15-19-13-20(22-27-19)21(26)24-10-4-7-17(14-24)16-5-2-1-3-6-16/h1-3,5-6,13,17-18,25H,4,7-12,14-15H2/t17-/m0/s1
InChIKeyRQTAZFFWCOJOPE-KRWDZBQOSA-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

Analyze [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 56705443
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 56740716
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 56706818
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
[5-[(3-phenylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62412837
5-[(4-hydroxypiperidin-1-yl)methyl]-N-(quinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56721841
[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 96565686
[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 96565687
[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 92574813
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144
5-[(4-hydroxypiperidin-1-yl)methyl]-N,N-dipropyl-1,2-oxazole-3-carboxamide
CID 56744415

Frequently Asked Questions

What is the IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone (CID 95220559) is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone is O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC[C@H](c2ccccc2)C1.
What is the InChIKey of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
The InChIKey is RQTAZFFWCOJOPE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-18-8-11-23(12-9-18)15-19-13-20(22-27-19)21(26)24-10-4-7-17(14-24)16-5-2-1-3-6-16/h1-3,5-6,13,17-18,25H,4,7-12,14-15H2/t17-/m0/s1.
What are the key properties of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-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 [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 95220559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).