6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid

C16H23N3O3 — CID 72850417

IUPAC6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCN(C)C(=O)CCC1CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C16H23N3O3/c1-18(2)15(20)9-8-12-5-4-10-19(11-12)14-7-3-6-13(17-14)16(21)22/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,21,22)
InChIKeyXSCHXCCGOIRJOO-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.86
Rot. Bonds5

About 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 72850417) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID72850417
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCN(C)C(=O)CCC1CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C16H23N3O3/c1-18(2)15(20)9-8-12-5-4-10-19(11-12)14-7-3-6-13(17-14)16(21)22/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,21,22)
InChIKeyXSCHXCCGOIRJOO-UHFFFAOYSA-N
XLogP1.86
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide
CID 97443721
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
6-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]pyridine-2-carboxylic acid
CID 122053696
6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053596
ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate
CID 75499064
N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45248367
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-[3-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122051931
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 72850417) is 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid is CN(C)C(=O)CCC1CCCN(c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is XSCHXCCGOIRJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18(2)15(20)9-8-12-5-4-10-19(11-12)14-7-3-6-13(17-14)16(21)22/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,21,22).
What are the key properties of 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(dimethylamino)-3-oxopropyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72850417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).