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

C17H22N4O4S — CID 18120693

IUPACethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C17H22N4O4S/c1-2-24-17(23)21-9-7-12(8-10-21)18-14(22)5-6-15-19-16(20-25-15)13-4-3-11-26-13/h3-4,11-12H,2,5-10H2,1H3,(H,18,22)
InChIKeyJDLGYUZUOMVIOZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.47
Rot. Bonds6

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

ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate (PubChem CID 18120693) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
PubChem CID18120693
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Nameethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C17H22N4O4S/c1-2-24-17(23)21-9-7-12(8-10-21)18-14(22)5-6-15-19-16(20-25-15)13-4-3-11-26-13/h3-4,11-12H,2,5-10H2,1H3,(H,18,22)
InChIKeyJDLGYUZUOMVIOZ-UHFFFAOYSA-N
XLogP2.47
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
N-(4-aminocyclohexyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119474585
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 112824013
N-(1-methylsulfonylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 86989875
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47031549
ethyl 4-[3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate
CID 3243211
N-(4-aminocyclohexyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478867
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 119516889
ethyl 4-[[2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxy]acetyl]amino]piperidine-1-carboxylate
CID 46428065
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120815183
N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 97018156
N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate (CID 18120693) is ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is JDLGYUZUOMVIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-2-24-17(23)21-9-7-12(8-10-21)18-14(22)5-6-15-19-16(20-25-15)13-4-3-11-26-13/h3-4,11-12H,2,5-10H2,1H3,(H,18,22).
What are the key properties of ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 378.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 18120693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).