5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole

C19H28N6O — CID 50959691

IUPAC5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCCN1CCC(N2CCN(c3cc(-c4nc(C)no4)ccn3)CC2)CC1
InChIInChI=1S/C19H28N6O/c1-3-23-8-5-17(6-9-23)24-10-12-25(13-11-24)18-14-16(4-7-20-18)19-21-15(2)22-26-19/h4,7,14,17H,3,5-6,8-13H2,1-2H3
InChIKeyTXPFLMXVJDNGJF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.05
Rot. Bonds4

About 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole

5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 50959691) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
PubChem CID50959691
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCCN1CCC(N2CCN(c3cc(-c4nc(C)no4)ccn3)CC2)CC1
InChIInChI=1S/C19H28N6O/c1-3-23-8-5-17(6-9-23)24-10-12-25(13-11-24)18-14-16(4-7-20-18)19-21-15(2)22-26-19/h4,7,14,17H,3,5-6,8-13H2,1-2H3
InChIKeyTXPFLMXVJDNGJF-UHFFFAOYSA-N
XLogP2.05
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole (CID 50959691) is 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole is CCN1CCC(N2CCN(c3cc(-c4nc(C)no4)ccn3)CC2)CC1.
What is the InChIKey of 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is TXPFLMXVJDNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-23-8-5-17(6-9-23)24-10-12-25(13-11-24)18-14-16(4-7-20-18)19-21-15(2)22-26-19/h4,7,14,17H,3,5-6,8-13H2,1-2H3.
What are the key properties of 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole?
5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 356.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-4-pyridinyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 50959691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).