ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate

C21H22N4O3 — CID 53012010

IUPACethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncccc2-c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H22N4O3/c1-2-27-21(26)16-10-13-25(14-11-16)18-17(9-6-12-22-18)20-24-23-19(28-20)15-7-4-3-5-8-15/h3-9,12,16H,2,10-11,13-14H2,1H3
InChIKeyOWUCPFDJZMDIHI-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.58
Rot. Bonds5

About ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate

ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 53012010) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate
PubChem CID53012010
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Nameethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncccc2-c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H22N4O3/c1-2-27-21(26)16-10-13-25(14-11-16)18-17(9-6-12-22-18)20-24-23-19(28-20)15-7-4-3-5-8-15/h3-9,12,16H,2,10-11,13-14H2,1H3
InChIKeyOWUCPFDJZMDIHI-UHFFFAOYSA-N
XLogP3.58
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
ethyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 60631682
ethyl 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate
CID 7273564
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 54008795
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 139512630
ethyl 1-(2-oxo-1H-pyrazin-3-yl)piperidine-4-carboxylate
CID 115650147
ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 19258795
ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate
CID 174358770
ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
CID 2952391
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
1-[3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 143793952

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate (CID 53012010) is ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncccc2-c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is OWUCPFDJZMDIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-27-21(26)16-10-13-25(14-11-16)18-17(9-6-12-22-18)20-24-23-19(28-20)15-7-4-3-5-8-15/h3-9,12,16H,2,10-11,13-14H2,1H3.
What are the key properties of ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate?
ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 53012010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).