1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

C17H21N3O3 — CID 91839918

IUPAC1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC(C(O)c3ccccn3)CC2)on1
InChIInChI=1S/C17H21N3O3/c1-12-10-14(23-19-12)11-16(21)20-8-5-13(6-9-20)17(22)15-4-2-3-7-18-15/h2-4,7,10,13,17,22H,5-6,8-9,11H2,1H3
InChIKeyXGKSAWYMJFSTQB-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.89
Rot. Bonds4

About 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone (PubChem CID 91839918) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
PubChem CID91839918
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC(C(O)c3ccccn3)CC2)on1
InChIInChI=1S/C17H21N3O3/c1-12-10-14(23-19-12)11-16(21)20-8-5-13(6-9-20)17(22)15-4-2-3-7-18-15/h2-4,7,10,13,17,22H,5-6,8-9,11H2,1H3
InChIKeyXGKSAWYMJFSTQB-UHFFFAOYSA-N
XLogP1.89
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
2-(3-methyl-1,2-oxazol-5-yl)-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 124753059
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
3-(2-ethylimidazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 131933415
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 118787314
4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 171386816
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 124753532
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 99946774
1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758560
1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758561

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone (CID 91839918) is 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone is Cc1cc(CC(=O)N2CCC(C(O)c3ccccn3)CC2)on1.
What is the InChIKey of 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is XGKSAWYMJFSTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-10-14(23-19-12)11-16(21)20-8-5-13(6-9-20)17(22)15-4-2-3-7-18-15/h2-4,7,10,13,17,22H,5-6,8-9,11H2,1H3.
What are the key properties of 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 315.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 91839918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).