6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid

C15H21N3O3 — CID 138646171

IUPAC6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(=O)N1CCC(C2CCc3nc(C(=O)O)cn3C2)CC1
InChIInChI=1S/C15H21N3O3/c1-10(19)17-6-4-11(5-7-17)12-2-3-14-16-13(15(20)21)9-18(14)8-12/h9,11-12H,2-8H2,1H3,(H,20,21)
InChIKeyZTGLVNZYMJNBDH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.40
Rot. Bonds2

About 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid

6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 138646171) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID138646171
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(=O)N1CCC(C2CCc3nc(C(=O)O)cn3C2)CC1
InChIInChI=1S/C15H21N3O3/c1-10(19)17-6-4-11(5-7-17)12-2-3-14-16-13(15(20)21)9-18(14)8-12/h9,11-12H,2-8H2,1H3,(H,20,21)
InChIKeyZTGLVNZYMJNBDH-UHFFFAOYSA-N
XLogP1.40
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (CID 138646171) is 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid is CC(=O)N1CCC(C2CCc3nc(C(=O)O)cn3C2)CC1.
What is the InChIKey of 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is ZTGLVNZYMJNBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)17-6-4-11(5-7-17)12-2-3-14-16-13(15(20)21)9-18(14)8-12/h9,11-12H,2-8H2,1H3,(H,20,21).
What are the key properties of 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 138646171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).