[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone

C25H29N3O3 — CID 92576677

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc(C2CCN(Cc3cccc4ccccc34)CC2)no1)N1CCC[C@H](O)C1
InChIInChI=1S/C25H29N3O3/c29-21-8-4-12-28(17-21)25(30)24-15-23(26-31-24)19-10-13-27(14-11-19)16-20-7-3-6-18-5-1-2-9-22(18)20/h1-3,5-7,9,15,19,21,29H,4,8,10-14,16-17H2/t21-/m0/s1
InChIKeyJHDBNEISDOQAQH-NRFANRHFSA-N
MW419.53 g/mol
LogP3.80
Rot. Bonds4

About [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone

[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone (PubChem CID 92576677) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
PubChem CID92576677
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
SMILESO=C(c1cc(C2CCN(Cc3cccc4ccccc34)CC2)no1)N1CCC[C@H](O)C1
InChIInChI=1S/C25H29N3O3/c29-21-8-4-12-28(17-21)25(30)24-15-23(26-31-24)19-10-13-27(14-11-19)16-20-7-3-6-18-5-1-2-9-22(18)20/h1-3,5-7,9,15,19,21,29H,4,8,10-14,16-17H2/t21-/m0/s1
InChIKeyJHDBNEISDOQAQH-NRFANRHFSA-N
XLogP3.80
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone with MolForge

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Related Compounds

[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
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55668581
[3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 92600776
[3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92568102
[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 92574813
[3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 110228843
[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92574689
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
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
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone (CID 92576677) is [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone is O=C(c1cc(C2CCN(Cc3cccc4ccccc34)CC2)no1)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone?
The InChIKey is JHDBNEISDOQAQH-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-21-8-4-12-28(17-21)25(30)24-15-23(26-31-24)19-10-13-27(14-11-19)16-20-7-3-6-18-5-1-2-9-22(18)20/h1-3,5-7,9,15,19,21,29H,4,8,10-14,16-17H2/t21-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone?
[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone has a molecular weight of 419.53 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 92576677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).