2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate

C20H20FN3O3 — CID 30124902

IUPAC2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
SMILESN#Cc1ccc(N2CCC(C(=O)OCCOc3ccccc3F)CC2)nc1
InChIInChI=1S/C20H20FN3O3/c21-17-3-1-2-4-18(17)26-11-12-27-20(25)16-7-9-24(10-8-16)19-6-5-15(13-22)14-23-19/h1-6,14,16H,7-12H2
InChIKeyYQAJTCQKFUQKDL-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.93
Rot. Bonds6

About 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate

2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 30124902) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
PubChem CID30124902
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
SMILESN#Cc1ccc(N2CCC(C(=O)OCCOc3ccccc3F)CC2)nc1
InChIInChI=1S/C20H20FN3O3/c21-17-3-1-2-4-18(17)26-11-12-27-20(25)16-7-9-24(10-8-16)19-6-5-15(13-22)14-23-19/h1-6,14,16H,7-12H2
InChIKeyYQAJTCQKFUQKDL-UHFFFAOYSA-N
XLogP2.93
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)ethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate
CID 46676956
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
CID 17468210
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
CID 46685091
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
CID 46685044
6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799094
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate (CID 30124902) is 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate is N#Cc1ccc(N2CCC(C(=O)OCCOc3ccccc3F)CC2)nc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is YQAJTCQKFUQKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-17-3-1-2-4-18(17)26-11-12-27-20(25)16-7-9-24(10-8-16)19-6-5-15(13-22)14-23-19/h1-6,14,16H,7-12H2.
What are the key properties of 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate?
2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 30124902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).