1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C17H26N4O3S — CID 72936545

IUPAC1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCSCc1noc(CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C17H26N4O3S/c1-25-11-14-19-15(24-20-14)10-18-16(22)12-6-8-21(9-7-12)17(23)13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,22)
InChIKeyPQXZNGBJIRSFIH-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.98
Rot. Bonds6

About 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 72936545) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID72936545
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCSCc1noc(CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C17H26N4O3S/c1-25-11-14-19-15(24-20-14)10-18-16(22)12-6-8-21(9-7-12)17(23)13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,22)
InChIKeyPQXZNGBJIRSFIH-UHFFFAOYSA-N
XLogP1.98
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 97188840
(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72847499
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72899381
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 118773656
N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide
CID 135087753
N-[(3R,4S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutanecarboxamide
CID 72857325
[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 91832975
(3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 97197849
(1R,9aR)-1-[[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol
CID 46982538
5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 91796432
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 56724145

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 72936545) is 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is CSCc1noc(CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)n1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is PQXZNGBJIRSFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-25-11-14-19-15(24-20-14)10-18-16(22)12-6-8-21(9-7-12)17(23)13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,22).
What are the key properties of 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72936545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).