3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C14H21N3O2 — CID 117247244

IUPAC3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CN2CCCCC2)n2c1CCCC2
InChIInChI=1S/C14H21N3O2/c18-14(19)13-11-6-2-5-9-17(11)12(15-13)10-16-7-3-1-4-8-16/h1-10H2,(H,18,19)
InChIKeyCGQKNYVECNEXGH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds3

About 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117247244) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117247244
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CN2CCCCC2)n2c1CCCC2
InChIInChI=1S/C14H21N3O2/c18-14(19)13-11-6-2-5-9-17(11)12(15-13)10-16-7-3-1-4-8-16/h1-10H2,(H,18,19)
InChIKeyCGQKNYVECNEXGH-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247796
3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984242
3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984197
3-[(cyclobutylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247232
3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984193
3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984206
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83865393
3-(morpholin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984248
3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984284
3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248071
3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984200
azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074257

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117247244) is 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CN2CCCCC2)n2c1CCCC2.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is CGQKNYVECNEXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14(19)13-11-6-2-5-9-17(11)12(15-13)10-16-7-3-1-4-8-16/h1-10H2,(H,18,19).
What are the key properties of 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117247244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).