2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid

C16H25N3O2 — CID 117157242

IUPAC2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCCN1CCCC(Cc2cn3c(n2)C(C(=O)O)CCC3)C1
InChIInChI=1S/C16H25N3O2/c1-2-18-7-3-5-12(10-18)9-13-11-19-8-4-6-14(16(20)21)15(19)17-13/h11-12,14H,2-10H2,1H3,(H,20,21)
InChIKeyYDVVPNGBSCXRCE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.12
Rot. Bonds4

About 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid

2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 117157242) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID117157242
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCCN1CCCC(Cc2cn3c(n2)C(C(=O)O)CCC3)C1
InChIInChI=1S/C16H25N3O2/c1-2-18-7-3-5-12(10-18)9-13-11-19-8-4-6-14(16(20)21)15(19)17-13/h11-12,14H,2-10H2,1H3,(H,20,21)
InChIKeyYDVVPNGBSCXRCE-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid (CID 117157242) is 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid is CCN1CCCC(Cc2cn3c(n2)C(C(=O)O)CCC3)C1.
What is the InChIKey of 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is YDVVPNGBSCXRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-18-7-3-5-12(10-18)9-13-11-19-8-4-6-14(16(20)21)15(19)17-13/h11-12,14H,2-10H2,1H3,(H,20,21).
What are the key properties of 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117157242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).