5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

C12H17N3O3S — CID 154866683

IUPAC5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(CC1CSC1)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C12H17N3O3S/c16-10(5-8-6-19-7-8)15-3-1-9(2-4-15)11-13-14-12(17)18-11/h8-9H,1-7H2,(H,14,17)
InChIKeyJNJKJKVNSAQQAC-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.82
Rot. Bonds3

About 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 154866683) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID154866683
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(CC1CSC1)N1CCC(c2n[nH]c(=O)o2)CC1
InChIInChI=1S/C12H17N3O3S/c16-10(5-8-6-19-7-8)15-3-1-9(2-4-15)11-13-14-12(17)18-11/h8-9H,1-7H2,(H,14,17)
InChIKeyJNJKJKVNSAQQAC-UHFFFAOYSA-N
XLogP0.82
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154834014
5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 167865932
5-[1-(4-oxocycloheptanecarbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154848200
5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 166239006
5-[1-(3-acetyl-3-azabicyclo[3.1.0]hexane-1-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154866343
5-[1-(4-bromo-5-methylthiophene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 136548886
5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 167762311
5-[1-(7-bromonaphthalene-2-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154873486
1-piperazin-1-yl-2-(thietan-3-yl)ethanone
CID 84669595
5-[1-(2-chloro-4-methylbenzoyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 122153512
5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154857998
5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 126831695

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 154866683) is 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is O=C(CC1CSC1)N1CCC(c2n[nH]c(=O)o2)CC1.
What is the InChIKey of 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is JNJKJKVNSAQQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-10(5-8-6-19-7-8)15-3-1-9(2-4-15)11-13-14-12(17)18-11/h8-9H,1-7H2,(H,14,17).
What are the key properties of 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 283.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(thietan-3-yl)acetyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 154866683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).