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

C18H23N5O4 — CID 110330269

IUPACethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C18H23N5O4/c1-2-26-18(25)23-11-8-13(9-12-23)20-15(24)6-7-16-21-22-17(27-16)14-5-3-4-10-19-14/h3-5,10,13H,2,6-9,11-12H2,1H3,(H,20,24)
InChIKeyVGPPUSBNWVAZEH-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.80
Rot. Bonds6

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

ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate (PubChem CID 110330269) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate
PubChem CID110330269
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Nameethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C18H23N5O4/c1-2-26-18(25)23-11-8-13(9-12-23)20-15(24)6-7-16-21-22-17(27-16)14-5-3-4-10-19-14/h3-5,10,13H,2,6-9,11-12H2,1H3,(H,20,24)
InChIKeyVGPPUSBNWVAZEH-UHFFFAOYSA-N
XLogP1.80
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 4-[[2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxy]acetyl]amino]piperidine-1-carboxylate
CID 46428065
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
N-cyclopropyl-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334118
N-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 18120693
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate (CID 110330269) is ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2nnc(-c3ccccn3)o2)CC1.
What is the InChIKey of ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is VGPPUSBNWVAZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-2-26-18(25)23-11-8-13(9-12-23)20-15(24)6-7-16-21-22-17(27-16)14-5-3-4-10-19-14/h3-5,10,13H,2,6-9,11-12H2,1H3,(H,20,24).
What are the key properties of ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 110330269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).