(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone

C12H16N2O3 — CID 121200431

IUPAC(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCCC(O)C2)ccn1
InChIInChI=1S/C12H16N2O3/c1-17-11-7-9(4-5-13-11)12(16)14-6-2-3-10(15)8-14/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyUQSIDNKKSQUOMS-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.69
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone

(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone (PubChem CID 121200431) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
PubChem CID121200431
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCCC(O)C2)ccn1
InChIInChI=1S/C12H16N2O3/c1-17-11-7-9(4-5-13-11)12(16)14-6-2-3-10(15)8-14/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyUQSIDNKKSQUOMS-UHFFFAOYSA-N
XLogP0.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 118789099
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 134700221

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone (CID 121200431) is (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)N2CCCC(O)C2)ccn1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is UQSIDNKKSQUOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-11-7-9(4-5-13-11)12(16)14-6-2-3-10(15)8-14/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone?
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 236.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 121200431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).