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

C14H22N4O3S — CID 97188840

IUPAC(3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NCc2nc(CSC)no2)C1
InChIInChI=1S/C14H22N4O3S/c1-3-13(19)18-6-4-5-10(8-18)14(20)15-7-12-16-11(9-22-2)17-21-12/h10H,3-9H2,1-2H3,(H,15,20)/t10-/m0/s1
InChIKeyXSNGJXJOGFHZLU-JTQLQIEISA-N
MW326.42 g/mol
LogP1.20
Rot. Bonds6

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

(3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 97188840) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID97188840
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name(3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NCc2nc(CSC)no2)C1
InChIInChI=1S/C14H22N4O3S/c1-3-13(19)18-6-4-5-10(8-18)14(20)15-7-12-16-11(9-22-2)17-21-12/h10H,3-9H2,1-2H3,(H,15,20)/t10-/m0/s1
InChIKeyXSNGJXJOGFHZLU-JTQLQIEISA-N
XLogP1.20
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide with MolForge

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Related Compounds

1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 72936545
(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97189926
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72847499
(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276336
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 118773656
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 72886154
(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276822
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 120831196
(3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 97197849

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide (CID 97188840) is (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@H](C(=O)NCc2nc(CSC)no2)C1.
What is the InChIKey of (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is XSNGJXJOGFHZLU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-3-13(19)18-6-4-5-10(8-18)14(20)15-7-12-16-11(9-22-2)17-21-12/h10H,3-9H2,1-2H3,(H,15,20)/t10-/m0/s1.
What are the key properties of (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide?
(3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 97188840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).