4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

C13H16N2O4 — CID 102963573

IUPAC4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccnc(C(=O)O)c2)CC1O
InChIInChI=1S/C13H16N2O4/c1-8-3-5-15(7-11(8)16)12(17)9-2-4-14-10(6-9)13(18)19/h2,4,6,8,11,16H,3,5,7H2,1H3,(H,18,19)
InChIKeyANSBGPARMKCGON-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.62
Rot. Bonds2

About 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 102963573) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID102963573
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccnc(C(=O)O)c2)CC1O
InChIInChI=1S/C13H16N2O4/c1-8-3-5-15(7-11(8)16)12(17)9-2-4-14-10(6-9)13(18)19/h2,4,6,8,11,16H,3,5,7H2,1H3,(H,18,19)
InChIKeyANSBGPARMKCGON-UHFFFAOYSA-N
XLogP0.62
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
(2-butan-2-yloxy-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 75483584
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901069
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900302
(4-amino-3-chlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954869

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (CID 102963573) is 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is CC1CCN(C(=O)c2ccnc(C(=O)O)c2)CC1O.
What is the InChIKey of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is ANSBGPARMKCGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-3-5-15(7-11(8)16)12(17)9-2-4-14-10(6-9)13(18)19/h2,4,6,8,11,16H,3,5,7H2,1H3,(H,18,19).
What are the key properties of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 102963573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).