3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

C16H25N3O2 — CID 117147918

IUPAC3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCCN1CCCC(Cc2ncc3n2CC(C(=O)O)CC3)C1
InChIInChI=1S/C16H25N3O2/c1-2-18-7-3-4-12(10-18)8-15-17-9-14-6-5-13(16(20)21)11-19(14)15/h9,12-13H,2-8,10-11H2,1H3,(H,20,21)
InChIKeyLGVCOOOQWXWQLJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.80
Rot. Bonds4

About 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117147918) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117147918
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCCN1CCCC(Cc2ncc3n2CC(C(=O)O)CC3)C1
InChIInChI=1S/C16H25N3O2/c1-2-18-7-3-4-12(10-18)8-15-17-9-14-6-5-13(16(20)21)11-19(14)15/h9,12-13H,2-8,10-11H2,1H3,(H,20,21)
InChIKeyLGVCOOOQWXWQLJ-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (CID 117147918) is 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is CCN1CCCC(Cc2ncc3n2CC(C(=O)O)CC3)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is LGVCOOOQWXWQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-18-7-3-4-12(10-18)8-15-17-9-14-6-5-13(16(20)21)11-19(14)15/h9,12-13H,2-8,10-11H2,1H3,(H,20,21).
What are the key properties of 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid?
3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117147918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).