[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C20H20N2O3 — CID 133121327

IUPAC[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)on1
InChIInChI=1S/C20H20N2O3/c1-13-10-19(25-21-13)20(24)22-9-8-17(18(23)12-22)16-7-6-14-4-2-3-5-15(14)11-16/h2-7,10-11,17-18,23H,8-9,12H2,1H3/t17-,18+/m1/s1
InChIKeyXIJBQJYICDVTOF-MSOLQXFVSA-N
MW336.39 g/mol
LogP3.13
Rot. Bonds2

About [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 133121327) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID133121327
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)on1
InChIInChI=1S/C20H20N2O3/c1-13-10-19(25-21-13)20(24)22-9-8-17(18(23)12-22)16-7-6-14-4-2-3-5-15(14)11-16/h2-7,10-11,17-18,23H,8-9,12H2,1H3/t17-,18+/m1/s1
InChIKeyXIJBQJYICDVTOF-MSOLQXFVSA-N
XLogP3.13
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56720609
(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 50974295
(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56723097
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
methyl 1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 50972858
(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
CID 138009834
1-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 133124285
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 68602065
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 50952696

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 133121327) is [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)on1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is XIJBQJYICDVTOF-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-10-19(25-21-13)20(24)22-9-8-17(18(23)12-22)16-7-6-14-4-2-3-5-15(14)11-16/h2-7,10-11,17-18,23H,8-9,12H2,1H3/t17-,18+/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 133121327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).