1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone

C14H23N3O4S — CID 60584458

IUPAC1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone
SMILESCCCc1nc(CS(=O)(=O)CC(=O)N2CCCCC2C)no1
InChIInChI=1S/C14H23N3O4S/c1-3-6-13-15-12(16-21-13)9-22(19,20)10-14(18)17-8-5-4-7-11(17)2/h11H,3-10H2,1-2H3
InChIKeyFUSMOKWGLDPLSR-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.34
Rot. Bonds6

About 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone

1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone (PubChem CID 60584458) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone
PubChem CID60584458
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone
SMILESCCCc1nc(CS(=O)(=O)CC(=O)N2CCCCC2C)no1
InChIInChI=1S/C14H23N3O4S/c1-3-6-13-15-12(16-21-13)9-22(19,20)10-14(18)17-8-5-4-7-11(17)2/h11H,3-10H2,1-2H3
InChIKeyFUSMOKWGLDPLSR-UHFFFAOYSA-N
XLogP1.34
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 43355954
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 66262063
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 127623329
(3R,6S)-6-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 95584930
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 55703652
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 2013100
1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95132774
1-(2-ethylpiperidin-1-yl)-2-(pyrimidin-2-ylmethylsulfonyl)ethanone
CID 167772224
N-[2-[(2S)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634423
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone (CID 60584458) is 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone is CCCc1nc(CS(=O)(=O)CC(=O)N2CCCCC2C)no1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone?
The InChIKey is FUSMOKWGLDPLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-3-6-13-15-12(16-21-13)9-22(19,20)10-14(18)17-8-5-4-7-11(17)2/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone?
1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone has a molecular weight of 329.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone is sourced from PubChem (CID 60584458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).