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

C27H32N4O3 — CID 174358770

IUPACethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCN(c3ccc(-c4noc(-c5ccccc5)n4)cc3)CC2)CC1
InChIInChI=1S/C27H32N4O3/c1-2-33-27(32)22-12-16-30(17-13-22)24-14-18-31(19-15-24)23-10-8-20(9-11-23)25-28-26(34-29-25)21-6-4-3-5-7-21/h3-11,22,24H,2,12-19H2,1H3
InChIKeyMIJLLVSFGIVQHA-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.65
Rot. Bonds6

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

ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate (PubChem CID 174358770) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate
PubChem CID174358770
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Nameethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCN(c3ccc(-c4noc(-c5ccccc5)n4)cc3)CC2)CC1
InChIInChI=1S/C27H32N4O3/c1-2-33-27(32)22-12-16-30(17-13-22)24-14-18-31(19-15-24)23-10-8-20(9-11-23)25-28-26(34-29-25)21-6-4-3-5-7-21/h3-11,22,24H,2,12-19H2,1H3
InChIKeyMIJLLVSFGIVQHA-UHFFFAOYSA-N
XLogP4.65
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 2-[1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]acetate
CID 174358771
ethyl 1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-4-carboxylate
CID 50828615
ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate
CID 50832292
ethyl 1-[[4-[5-(2-fluoro-3-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylate
CID 91402291
ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate
CID 53054466
ethyl 3-[2-methyl-4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylate
CID 77274477
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate
CID 53012010
ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 23608410
[4-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl 1-[4-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-4-carboxylate
CID 91172238
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate (CID 174358770) is ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CCN(c3ccc(-c4noc(-c5ccccc5)n4)cc3)CC2)CC1.
What is the InChIKey of ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate?
The InChIKey is MIJLLVSFGIVQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-2-33-27(32)22-12-16-30(17-13-22)24-14-18-31(19-15-24)23-10-8-20(9-11-23)25-28-26(34-29-25)21-6-4-3-5-7-21/h3-11,22,24H,2,12-19H2,1H3.
What are the key properties of ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate has a molecular weight of 460.58 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 174358770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).