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

C14H24N4O — CID 55169739

IUPAC2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(C3CCCN3)CC2)o1
InChIInChI=1S/C14H24N4O/c1-2-13-16-17-14(19-13)10-18-8-5-11(6-9-18)12-4-3-7-15-12/h11-12,15H,2-10H2,1H3
InChIKeyCYMMTBLCYYIIJT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.60
Rot. Bonds4

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

2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 55169739) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID55169739
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(C3CCCN3)CC2)o1
InChIInChI=1S/C14H24N4O/c1-2-13-16-17-14(19-13)10-18-8-5-11(6-9-18)12-4-3-7-15-12/h11-12,15H,2-10H2,1H3
InChIKeyCYMMTBLCYYIIJT-UHFFFAOYSA-N
XLogP1.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 55169739) is 2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCC(C3CCCN3)CC2)o1.
What is the InChIKey of 2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is CYMMTBLCYYIIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-13-16-17-14(19-13)10-18-8-5-11(6-9-18)12-4-3-7-15-12/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 55169739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).