1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile

C12H13N3O2 — CID 81446161

IUPAC1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C12H13N3O2/c13-6-9-2-1-5-15(8-9)12(17)10-3-4-14-7-11(10)16/h3-4,7,9,16H,1-2,5,8H2
InChIKeyIWAGILJVEIOJIW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.16
Rot. Bonds1

About 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile

1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile (PubChem CID 81446161) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
PubChem CID81446161
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C12H13N3O2/c13-6-9-2-1-5-15(8-9)12(17)10-3-4-14-7-11(10)16/h3-4,7,9,16H,1-2,5,8H2
InChIKeyIWAGILJVEIOJIW-UHFFFAOYSA-N
XLogP1.16
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
1-(2-chloro-4-methylbenzoyl)piperidine-3-carbonitrile
CID 106861257
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
CID 104638536
(3-hydroxy-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 80707017

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile (CID 81446161) is 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile is N#CC1CCCN(C(=O)c2ccncc2O)C1.
What is the InChIKey of 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile?
The InChIKey is IWAGILJVEIOJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-6-9-2-1-5-15(8-9)12(17)10-3-4-14-7-11(10)16/h3-4,7,9,16H,1-2,5,8H2.
What are the key properties of 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile?
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile has a molecular weight of 231.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 81446161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).