1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid

C16H24N2O4 — CID 82217952

IUPAC1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCCC(C)n1cc(O)c(=O)cc1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24N2O4/c1-3-11(2)18-10-15(20)14(19)8-13(18)9-17-6-4-12(5-7-17)16(21)22/h8,10-12,20H,3-7,9H2,1-2H3,(H,21,22)
InChIKeyXCMLILXPTSVNTH-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.82
Rot. Bonds5

About 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid

1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid (PubChem CID 82217952) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid
PubChem CID82217952
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCCC(C)n1cc(O)c(=O)cc1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24N2O4/c1-3-11(2)18-10-15(20)14(19)8-13(18)9-17-6-4-12(5-7-17)16(21)22/h8,10-12,20H,3-7,9H2,1-2H3,(H,21,22)
InChIKeyXCMLILXPTSVNTH-UHFFFAOYSA-N
XLogP1.82
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid (CID 82217952) is 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid is CCC(C)n1cc(O)c(=O)cc1CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is XCMLILXPTSVNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-11(2)18-10-15(20)14(19)8-13(18)9-17-6-4-12(5-7-17)16(21)22/h8,10-12,20H,3-7,9H2,1-2H3,(H,21,22).
What are the key properties of 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-yl-5-hydroxy-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82217952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).