1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

C17H24N2O4 — CID 70752926

IUPAC1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1
InChIInChI=1S/C17H24N2O4/c1-4-6-17(16(22)23)7-5-8-19(10-17)15(21)13-9-11(2)12(3)18-14(13)20/h9H,4-8,10H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyCGIHXDKMLYJEND-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.10
Rot. Bonds4

About 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 70752926) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID70752926
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1
InChIInChI=1S/C17H24N2O4/c1-4-6-17(16(22)23)7-5-8-19(10-17)15(21)13-9-11(2)12(3)18-14(13)20/h9H,4-8,10H2,1-3H3,(H,18,20)(H,22,23)
InChIKeyCGIHXDKMLYJEND-UHFFFAOYSA-N
XLogP2.10
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 70752926) is 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1.
What is the InChIKey of 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is CGIHXDKMLYJEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-6-17(16(22)23)7-5-8-19(10-17)15(21)13-9-11(2)12(3)18-14(13)20/h9H,4-8,10H2,1-3H3,(H,18,20)(H,22,23).
What are the key properties of 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 70752926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).