N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide

C13H22N4O2 — CID 106397484

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCCc2ncno2)CCNCC1
InChIInChI=1S/C13H22N4O2/c1-2-4-13(5-8-14-9-6-13)12(18)15-7-3-11-16-10-17-19-11/h10,14H,2-9H2,1H3,(H,15,18)
InChIKeyZHNCTVOHCWWWSI-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.90
Rot. Bonds6

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide (PubChem CID 106397484) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide
PubChem CID106397484
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCCc2ncno2)CCNCC1
InChIInChI=1S/C13H22N4O2/c1-2-4-13(5-8-14-9-6-13)12(18)15-7-3-11-16-10-17-19-11/h10,14H,2-9H2,1H3,(H,15,18)
InChIKeyZHNCTVOHCWWWSI-UHFFFAOYSA-N
XLogP0.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 114183577
N-(2-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide
CID 55177593
1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 113253187
N-(2-phenoxyethyl)-4-propylpiperidine-4-carboxamide
CID 63129005
3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55176192
N-[2-[ethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 55176449
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
4-carbamothioyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxane-4-carboxamide
CID 106399302
N-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxamide
CID 63127591
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-[(6-methyl-3-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63129561

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide (CID 106397484) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NCCc2ncno2)CCNCC1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is ZHNCTVOHCWWWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-4-13(5-8-14-9-6-13)12(18)15-7-3-11-16-10-17-19-11/h10,14H,2-9H2,1H3,(H,15,18).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 106397484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).