ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate

C23H30N4O4 — CID 50832292

IUPACethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(N4CCCC4)cc3)no2)CC1
InChIInChI=1S/C23H30N4O4/c1-2-30-23(29)18-11-15-27(16-12-18)21(28)10-9-20-24-22(25-31-20)17-5-7-19(8-6-17)26-13-3-4-14-26/h5-8,18H,2-4,9-16H2,1H3
InChIKeyPOYOOKKVSWAKHL-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.07
Rot. Bonds7

About ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate (PubChem CID 50832292) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate
PubChem CID50832292
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nameethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(N4CCCC4)cc3)no2)CC1
InChIInChI=1S/C23H30N4O4/c1-2-30-23(29)18-11-15-27(16-12-18)21(28)10-9-20-24-22(25-31-20)17-5-7-19(8-6-17)26-13-3-4-14-26/h5-8,18H,2-4,9-16H2,1H3
InChIKeyPOYOOKKVSWAKHL-UHFFFAOYSA-N
XLogP3.07
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate with MolForge

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Related Compounds

(3S)-1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 125118228
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 50832070
1-[4-(1-aminoethyl)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 119517934
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 100762680
ethyl 1-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]piperidin-4-yl]piperidine-4-carboxylate
CID 174358770
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 9036823
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 2013100
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120815110
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 39581689
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100764370
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 46390874

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate (CID 50832292) is ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(N4CCCC4)cc3)no2)CC1.
What is the InChIKey of ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate?
The InChIKey is POYOOKKVSWAKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-2-30-23(29)18-11-15-27(16-12-18)21(28)10-9-20-24-22(25-31-20)17-5-7-19(8-6-17)26-13-3-4-14-26/h5-8,18H,2-4,9-16H2,1H3.
What are the key properties of ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate has a molecular weight of 426.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 50832292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).