ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate

C20H21FN2O3 — CID 46032889

IUPACethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cncc(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C20H21FN2O3/c1-2-26-20(25)15-6-4-8-23(13-15)19(24)17-9-16(11-22-12-17)14-5-3-7-18(21)10-14/h3,5,7,9-12,15H,2,4,6,8,13H2,1H3
InChIKeyQNTFKBVTEHMWBP-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.30
Rot. Bonds4

About ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 46032889) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate
PubChem CID46032889
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Nameethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cncc(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C20H21FN2O3/c1-2-26-20(25)15-6-4-8-23(13-15)19(24)17-9-16(11-22-12-17)14-5-3-7-18(21)10-14/h3,5,7,9-12,15H,2,4,6,8,13H2,1H3
InChIKeyQNTFKBVTEHMWBP-UHFFFAOYSA-N
XLogP3.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate (CID 46032889) is ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cncc(-c3cccc(F)c3)c2)C1.
What is the InChIKey of ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is QNTFKBVTEHMWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-2-26-20(25)15-6-4-8-23(13-15)19(24)17-9-16(11-22-12-17)14-5-3-7-18(21)10-14/h3,5,7,9-12,15H,2,4,6,8,13H2,1H3.
What are the key properties of ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(3-fluorophenyl)pyridine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 46032889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).