1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone

C16H19N3O2S — CID 53191978

IUPAC1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C16H19N3O2S/c20-14(9-11-6-8-22-10-11)19-7-2-1-3-13(19)16-17-15(18-21-16)12-4-5-12/h6,8,10,12-13H,1-5,7,9H2
InChIKeyBUQIPKUZTSNFQT-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.30
Rot. Bonds4

About 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 53191978) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID53191978
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C16H19N3O2S/c20-14(9-11-6-8-22-10-11)19-7-2-1-3-13(19)16-17-15(18-21-16)12-4-5-12/h6,8,10,12-13H,1-5,7,9H2
InChIKeyBUQIPKUZTSNFQT-UHFFFAOYSA-N
XLogP3.30
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 53191978) is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCCCC1c1nc(C2CC2)no1.
What is the InChIKey of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is BUQIPKUZTSNFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-14(9-11-6-8-22-10-11)19-7-2-1-3-13(19)16-17-15(18-21-16)12-4-5-12/h6,8,10,12-13H,1-5,7,9H2.
What are the key properties of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 317.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 53191978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).