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

C15H23N3O2 — CID 117150721

IUPAC3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCN1CCCC(Cc2ncc3n2CCC(C(=O)O)C3)C1
InChIInChI=1S/C15H23N3O2/c1-17-5-2-3-11(10-17)7-14-16-9-13-8-12(15(19)20)4-6-18(13)14/h9,11-12H,2-8,10H2,1H3,(H,19,20)
InChIKeyLEZFCXSGFAPLRQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.41
Rot. Bonds3

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

3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117150721) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117150721
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCN1CCCC(Cc2ncc3n2CCC(C(=O)O)C3)C1
InChIInChI=1S/C15H23N3O2/c1-17-5-2-3-11(10-17)7-14-16-9-13-8-12(15(19)20)4-6-18(13)14/h9,11-12H,2-8,10H2,1H3,(H,19,20)
InChIKeyLEZFCXSGFAPLRQ-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 117150721) is 3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is CN1CCCC(Cc2ncc3n2CCC(C(=O)O)C3)C1.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is LEZFCXSGFAPLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-5-2-3-11(10-17)7-14-16-9-13-8-12(15(19)20)4-6-18(13)14/h9,11-12H,2-8,10H2,1H3,(H,19,20).
What are the key properties of 3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117150721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).