3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid

C16H24N2O5 — CID 82218843

IUPAC3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
SMILESCC1CCCN(Cc2cc(=O)c(O)cn2C(C(=O)O)C(C)O)C1
InChIInChI=1S/C16H24N2O5/c1-10-4-3-5-17(7-10)8-12-6-13(20)14(21)9-18(12)15(11(2)19)16(22)23/h6,9-11,15,19,21H,3-5,7-8H2,1-2H3,(H,22,23)
InChIKeyKGGWPXAJVRTSHL-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.79
Rot. Bonds5

About 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid

3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid (PubChem CID 82218843) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
PubChem CID82218843
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
SMILESCC1CCCN(Cc2cc(=O)c(O)cn2C(C(=O)O)C(C)O)C1
InChIInChI=1S/C16H24N2O5/c1-10-4-3-5-17(7-10)8-12-6-13(20)14(21)9-18(12)15(11(2)19)16(22)23/h6,9-11,15,19,21H,3-5,7-8H2,1-2H3,(H,22,23)
InChIKeyKGGWPXAJVRTSHL-UHFFFAOYSA-N
XLogP0.79
TPSA103.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218887
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217753
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568
5-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861570
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960122
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046459
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55146885
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid (CID 82218843) is 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid is CC1CCCN(Cc2cc(=O)c(O)cn2C(C(=O)O)C(C)O)C1.
What is the InChIKey of 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid?
The InChIKey is KGGWPXAJVRTSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-10-4-3-5-17(7-10)8-12-6-13(20)14(21)9-18(12)15(11(2)19)16(22)23/h6,9-11,15,19,21H,3-5,7-8H2,1-2H3,(H,22,23).
What are the key properties of 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid?
3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid has a molecular weight of 324.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82218843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).