ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate

C18H20ClN3O3 — CID 102603303

About ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate

ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate (PubChem CID 102603303) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate
• PubChem CID: 102603303
• Molecular Formula: C18H20ClN3O3
• Molecular Weight: 361.83 g/mol
• Exact Mass: 361.12
• IUPAC Name: ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn23)CC1
• InChI: InChI=1S/C18H20ClN3O3/c1-2-25-18(24)13-8-11-21(12-9-13)16(23)7-6-14-17(19)20-15-5-3-4-10-22(14)15/h3-7,10,13H,2,8-9,11-12H2,1H3/b7-6+
• InChIKey: FSFCAWWSHJNEJB-VOTSOKGWSA-N
• XLogP: 2.80
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.83
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate (CID 102603303) is ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn23)CC1.

What is the InChIKey of ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate?

The InChIKey is FSFCAWWSHJNEJB-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-2-25-18(24)13-8-11-21(12-9-13)16(23)7-6-14-17(19)20-15-5-3-4-10-22(14)15/h3-7,10,13H,2,8-9,11-12H2,1H3/b7-6+.

What are the key properties of ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate?

ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate has a molecular weight of 361.83 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]piperidine-4-carboxylate is sourced from PubChem (CID 102603303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).