methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

C16H21N3O3 — CID 117254732

IUPACmethyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CCCCN2)n2cccc(OC)c12
InChIInChI=1S/C16H21N3O3/c1-21-12-7-5-9-19-13(10-11-6-3-4-8-17-11)18-14(15(12)19)16(20)22-2/h5,7,9,11,17H,3-4,6,8,10H2,1-2H3
InChIKeyQTLTXSOXNZGPDY-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.81
Rot. Bonds4

About methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117254732) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117254732
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namemethyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC2CCCCN2)n2cccc(OC)c12
InChIInChI=1S/C16H21N3O3/c1-21-12-7-5-9-19-13(10-11-6-3-4-8-17-11)18-14(15(12)19)16(20)22-2/h5,7,9,11,17H,3-4,6,8,10H2,1-2H3
InChIKeyQTLTXSOXNZGPDY-UHFFFAOYSA-N
XLogP1.81
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254731
methyl 8-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254722
methyl 3-(piperidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147604
methyl 6-hydroxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253578
1-bromo-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 117254727
methyl 5-amino-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252948
1,8-dichloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254735
methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254781
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903
3-(aminomethyl)-8-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254847
1-bromo-8-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254720
6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584

Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 117254732) is methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC2CCCCN2)n2cccc(OC)c12.
What is the InChIKey of methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is QTLTXSOXNZGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-12-7-5-9-19-13(10-11-6-3-4-8-17-11)18-14(15(12)19)16(20)22-2/h5,7,9,11,17H,3-4,6,8,10H2,1-2H3.
What are the key properties of methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117254732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).