(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone

C16H22N2O3 — CID 126432712

IUPAC(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
SMILESC[C@@]1(C(=O)N2CCC(O)(c3cccnc3)CC2)CCCO1
InChIInChI=1S/C16H22N2O3/c1-15(5-3-11-21-15)14(19)18-9-6-16(20,7-10-18)13-4-2-8-17-12-13/h2,4,8,12,20H,3,5-7,9-11H2,1H3/t15-/m0/s1
InChIKeyQARVARUVXUWXQH-HNNXBMFYSA-N
MW290.36 g/mol
LogP1.46
Rot. Bonds2

About (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone

(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone (PubChem CID 126432712) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
PubChem CID126432712
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
SMILESC[C@@]1(C(=O)N2CCC(O)(c3cccnc3)CC2)CCCO1
InChIInChI=1S/C16H22N2O3/c1-15(5-3-11-21-15)14(19)18-9-6-16(20,7-10-18)13-4-2-8-17-12-13/h2,4,8,12,20H,3,5-7,9-11H2,1H3/t15-/m0/s1
InChIKeyQARVARUVXUWXQH-HNNXBMFYSA-N
XLogP1.46
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone with MolForge

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Related Compounds

cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
1-[(3S)-3-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-4-methylpiperazin-1-yl]ethanone
CID 95827555
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 125446192
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 97112054
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 16668120
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone?
The IUPAC name of (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone (CID 126432712) is (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone.
What is the SMILES notation for (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone?
The canonical SMILES for (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone is C[C@@]1(C(=O)N2CCC(O)(c3cccnc3)CC2)CCCO1.
What is the InChIKey of (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone?
The InChIKey is QARVARUVXUWXQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-15(5-3-11-21-15)14(19)18-9-6-16(20,7-10-18)13-4-2-8-17-12-13/h2,4,8,12,20H,3,5-7,9-11H2,1H3/t15-/m0/s1.
What are the key properties of (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone?
(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone has a molecular weight of 290.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone is sourced from PubChem (CID 126432712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).