ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate

C19H25N3O3 — CID 75372463

IUPACethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(C(C)c2nnc(C)o2)CC1
InChIInChI=1S/C19H25N3O3/c1-4-24-18(23)19(16-8-6-5-7-9-16)10-12-22(13-11-19)14(2)17-21-20-15(3)25-17/h5-9,14H,4,10-13H2,1-3H3
InChIKeyADJQRKHYJCHDLM-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.04
Rot. Bonds5

About ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate

ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 75372463) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate
PubChem CID75372463
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(C(C)c2nnc(C)o2)CC1
InChIInChI=1S/C19H25N3O3/c1-4-24-18(23)19(16-8-6-5-7-9-16)10-12-22(13-11-19)14(2)17-21-20-15(3)25-17/h5-9,14H,4,10-13H2,1-3H3
InChIKeyADJQRKHYJCHDLM-UHFFFAOYSA-N
XLogP3.04
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate
CID 95372072
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 26013
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780
ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate
CID 11971870
ethyl 1-[(2R)-2,4-dicyanobutyl]-4-phenylpiperidine-4-carboxylate
CID 97215021
(Z)-but-2-enedioic acid;ethyl 4-phenyl-1-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-4-carboxylate
CID 20838136
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate (CID 75372463) is ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(C(C)c2nnc(C)o2)CC1.
What is the InChIKey of ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is ADJQRKHYJCHDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-24-18(23)19(16-8-6-5-7-9-16)10-12-22(13-11-19)14(2)17-21-20-15(3)25-17/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate?
ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 75372463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).