3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole

C15H26N4O — CID 56716184

IUPAC3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(C3CCNC3)n2)CC1
InChIInChI=1S/C15H26N4O/c1-2-7-19-8-4-12(5-9-19)10-14-17-15(20-18-14)13-3-6-16-11-13/h12-13,16H,2-11H2,1H3
InChIKeyATJPBOYDYQJJNT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.81
Rot. Bonds5

About 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole

3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 56716184) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID56716184
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(C3CCNC3)n2)CC1
InChIInChI=1S/C15H26N4O/c1-2-7-19-8-4-12(5-9-19)10-14-17-15(20-18-14)13-3-6-16-11-13/h12-13,16H,2-11H2,1H3
InChIKeyATJPBOYDYQJJNT-UHFFFAOYSA-N
XLogP1.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 56716184) is 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole is CCCN1CCC(Cc2noc(C3CCNC3)n2)CC1.
What is the InChIKey of 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is ATJPBOYDYQJJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-7-19-8-4-12(5-9-19)10-14-17-15(20-18-14)13-3-6-16-11-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylpiperidin-4-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56716184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).