5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C14H21N3O2 — CID 117247597

IUPAC5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCCc2c(C(=O)O)nc(C3CCNCC3)n21
InChIInChI=1S/C14H21N3O2/c1-9-3-2-4-11-12(14(18)19)16-13(17(9)11)10-5-7-15-8-6-10/h9-10,15H,2-8H2,1H3,(H,18,19)
InChIKeyITGPHUXFDQCXHE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds2

About 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117247597) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117247597
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCCc2c(C(=O)O)nc(C3CCNCC3)n21
InChIInChI=1S/C14H21N3O2/c1-9-3-2-4-11-12(14(18)19)16-13(17(9)11)10-5-7-15-8-6-10/h9-10,15H,2-8H2,1H3,(H,18,19)
InChIKeyITGPHUXFDQCXHE-UHFFFAOYSA-N
XLogP1.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117247597) is 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CC1CCCc2c(C(=O)O)nc(C3CCNCC3)n21.
What is the InChIKey of 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is ITGPHUXFDQCXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-3-2-4-11-12(14(18)19)16-13(17(9)11)10-5-7-15-8-6-10/h9-10,15H,2-8H2,1H3,(H,18,19).
What are the key properties of 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117247597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).