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

C14H21N3O2 — CID 117248307

IUPACmethyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2cnc(C3CCNCC3)n2C1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)11-2-3-12-8-16-13(17(12)9-11)10-4-6-15-7-5-10/h8,10-11,15H,2-7,9H2,1H3
InChIKeyQYTOZIVEASOBMR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.09
Rot. Bonds2

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

methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117248307) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117248307
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2cnc(C3CCNCC3)n2C1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)11-2-3-12-8-16-13(17(12)9-11)10-4-6-15-7-5-10/h8,10-11,15H,2-7,9H2,1H3
InChIKeyQYTOZIVEASOBMR-UHFFFAOYSA-N
XLogP1.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (CID 117248307) is methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is COC(=O)C1CCc2cnc(C3CCNCC3)n2C1.
What is the InChIKey of methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is QYTOZIVEASOBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14(18)11-2-3-12-8-16-13(17(12)9-11)10-4-6-15-7-5-10/h8,10-11,15H,2-7,9H2,1H3.
What are the key properties of methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117248307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).