ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate

C17H21N3O3 — CID 34421493

IUPACethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn3ccc(C)cc3n2)CC1
InChIInChI=1S/C17H21N3O3/c1-3-23-17(22)13-5-8-19(9-6-13)16(21)14-11-20-7-4-12(2)10-15(20)18-14/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3
InChIKeyUKQZHXZVKYSWPR-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.06
Rot. Bonds3

About ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 34421493) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
PubChem CID34421493
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn3ccc(C)cc3n2)CC1
InChIInChI=1S/C17H21N3O3/c1-3-23-17(22)13-5-8-19(9-6-13)16(21)14-11-20-7-4-12(2)10-15(20)18-14/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3
InChIKeyUKQZHXZVKYSWPR-UHFFFAOYSA-N
XLogP2.06
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate (CID 34421493) is ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cn3ccc(C)cc3n2)CC1.
What is the InChIKey of ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is UKQZHXZVKYSWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-23-17(22)13-5-8-19(9-6-13)16(21)14-11-20-7-4-12(2)10-15(20)18-14/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3.
What are the key properties of ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 34421493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).