5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole

C14H25N3O — CID 53191869

IUPAC5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCCCN1CCCCC1c1nc(C(C)C)no1
InChIInChI=1S/C14H25N3O/c1-4-5-9-17-10-7-6-8-12(17)14-15-13(11(2)3)16-18-14/h11-12H,4-10H2,1-3H3
InChIKeyKRTCCLDHFZVEPE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.52
Rot. Bonds5

About 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole

5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 53191869) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID53191869
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCCCN1CCCCC1c1nc(C(C)C)no1
InChIInChI=1S/C14H25N3O/c1-4-5-9-17-10-7-6-8-12(17)14-15-13(11(2)3)16-18-14/h11-12H,4-10H2,1-3H3
InChIKeyKRTCCLDHFZVEPE-UHFFFAOYSA-N
XLogP3.52
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 53191869) is 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole is CCCCN1CCCCC1c1nc(C(C)C)no1.
What is the InChIKey of 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is KRTCCLDHFZVEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-5-9-17-10-7-6-8-12(17)14-15-13(11(2)3)16-18-14/h11-12H,4-10H2,1-3H3.
What are the key properties of 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 251.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53191869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).