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

C19H24N4O4 — CID 31369329

IUPACethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H24N4O4/c1-2-26-19(25)23-12-10-15(11-13-23)20-16(24)8-9-17-21-18(22-27-17)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,24)
InChIKeyXXBXVFAMUYLIEI-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.41
Rot. Bonds6

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

ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate (PubChem CID 31369329) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
PubChem CID31369329
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nameethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H24N4O4/c1-2-26-19(25)23-12-10-15(11-13-23)20-16(24)8-9-17-21-18(22-27-17)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,24)
InChIKeyXXBXVFAMUYLIEI-UHFFFAOYSA-N
XLogP2.41
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 18120693
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
ethyl 4-[[2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxy]acetyl]amino]piperidine-1-carboxylate
CID 46428065
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46476811
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502231
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
CID 55821563
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952247
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 46485770
ethyl 4-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 38114906
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24611954

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate (CID 31369329) is ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is XXBXVFAMUYLIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-26-19(25)23-12-10-15(11-13-23)20-16(24)8-9-17-21-18(22-27-17)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,20,24).
What are the key properties of ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 31369329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).