4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one

C12H21N3O2 — CID 167751495

IUPAC4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1CCN1CCCCC1
InChIInChI=1S/C12H21N3O2/c1-10(2)11-13-17-12(16)15(11)9-8-14-6-4-3-5-7-14/h10H,3-9H2,1-2H3
InChIKeyHMNRMPFBUHUDBN-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.45
Rot. Bonds4

About 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one

4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 167751495) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one
PubChem CID167751495
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1CCN1CCCCC1
InChIInChI=1S/C12H21N3O2/c1-10(2)11-13-17-12(16)15(11)9-8-14-6-4-3-5-7-14/h10H,3-9H2,1-2H3
InChIKeyHMNRMPFBUHUDBN-UHFFFAOYSA-N
XLogP1.45
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Oxadiazol-5(4H)-one, 3-butyl-4-propyl-
CID 12317369
1,2,4-Oxadiazol-5(4H)-one, 3,4-dibutyl-
CID 12317373
3-Tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
CID 146082726
4-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
CID 146082801
3-Cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one
CID 166301466

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one (CID 167751495) is 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one is CC(C)c1noc(=O)n1CCN1CCCCC1.
What is the InChIKey of 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is HMNRMPFBUHUDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(2)11-13-17-12(16)15(11)9-8-14-6-4-3-5-7-14/h10H,3-9H2,1-2H3.
What are the key properties of 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one?
4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 239.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 167751495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).