3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid

C14H18N2O4 — CID 81445617

IUPAC3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C14H18N2O4/c17-12-8-15-6-5-11(12)14(20)16-7-1-2-10(9-16)3-4-13(18)19/h5-6,8,10,17H,1-4,7,9H2,(H,18,19)
InChIKeyBGOHHQSCSHXVDU-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.50
Rot. Bonds4

About 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 81445617) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID81445617
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C14H18N2O4/c17-12-8-15-6-5-11(12)14(20)16-7-1-2-10(9-16)3-4-13(18)19/h5-6,8,10,17H,1-4,7,9H2,(H,18,19)
InChIKeyBGOHHQSCSHXVDU-UHFFFAOYSA-N
XLogP1.50
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
3-[1-(3-fluoropyridine-4-carbonyl)piperidin-3-yl]-N,N-dimethylpropanamide
CID 90650048
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
CID 81446161
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760
[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 130531502
3-[1-(2,3-difluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 146109373
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid (CID 81445617) is 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(C(=O)c2ccncc2O)C1.
What is the InChIKey of 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is BGOHHQSCSHXVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12-8-15-6-5-11(12)14(20)16-7-1-2-10(9-16)3-4-13(18)19/h5-6,8,10,17H,1-4,7,9H2,(H,18,19).
What are the key properties of 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 81445617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).