2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C16H22N2O2 — CID 62703023

IUPAC2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC1CCN(c2nc3c(cc2C(=O)O)CCC3)C(C)C1
InChIInChI=1S/C16H22N2O2/c1-10-6-7-18(11(2)8-10)15-13(16(19)20)9-12-4-3-5-14(12)17-15/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyIVCNGRYYZKPGNL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.89
Rot. Bonds2

About 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62703023) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62703023
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC1CCN(c2nc3c(cc2C(=O)O)CCC3)C(C)C1
InChIInChI=1S/C16H22N2O2/c1-10-6-7-18(11(2)8-10)15-13(16(19)20)9-12-4-3-5-14(12)17-15/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyIVCNGRYYZKPGNL-UHFFFAOYSA-N
XLogP2.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62703023) is 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CC1CCN(c2nc3c(cc2C(=O)O)CCC3)C(C)C1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is IVCNGRYYZKPGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-6-7-18(11(2)8-10)15-13(16(19)20)9-12-4-3-5-14(12)17-15/h9-11H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62703023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).