1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone

C16H22N2O3 — CID 126441295

IUPAC1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
SMILESO=C(C[C@H]1CCOC1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C16H22N2O3/c19-15(10-13-3-9-21-12-13)18-7-4-16(20,5-8-18)14-2-1-6-17-11-14/h1-2,6,11,13,20H,3-5,7-10,12H2/t13-/m1/s1
InChIKeyCIZHPZDXCFFYLB-CYBMUJFWSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds3

About 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone

1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone (PubChem CID 126441295) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
PubChem CID126441295
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
SMILESO=C(C[C@H]1CCOC1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C16H22N2O3/c19-15(10-13-3-9-21-12-13)18-7-4-16(20,5-8-18)14-2-1-6-17-11-14/h1-2,6,11,13,20H,3-5,7-10,12H2/t13-/m1/s1
InChIKeyCIZHPZDXCFFYLB-CYBMUJFWSA-N
XLogP1.32
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 97197401
[(3R,6S)-6-amino-1-(oxan-4-yl)azepan-3-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 165426775
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131647418
(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
CID 126432712
1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 118779088
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 125165448
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-(oxolan-3-yl)ethanone
CID 118662319

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone?
The IUPAC name of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone (CID 126441295) is 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone?
The canonical SMILES for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone is O=C(C[C@H]1CCOC1)N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone?
The InChIKey is CIZHPZDXCFFYLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(10-13-3-9-21-12-13)18-7-4-16(20,5-8-18)14-2-1-6-17-11-14/h1-2,6,11,13,20H,3-5,7-10,12H2/t13-/m1/s1.
What are the key properties of 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone?
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone has a molecular weight of 290.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone is sourced from PubChem (CID 126441295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).