3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C18H27N7O2 — CID 75468135

IUPAC3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCCc1nc(CN2CCN(C3CCCN(c4cnn(C)c4)C3=O)CC2)no1
InChIInChI=1S/C18H27N7O2/c1-3-17-20-16(21-27-17)13-23-7-9-24(10-8-23)15-5-4-6-25(18(15)26)14-11-19-22(2)12-14/h11-12,15H,3-10,13H2,1-2H3
InChIKeyQGTOEDURFMFJLQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.68
Rot. Bonds5

About 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 75468135) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID75468135
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCCc1nc(CN2CCN(C3CCCN(c4cnn(C)c4)C3=O)CC2)no1
InChIInChI=1S/C18H27N7O2/c1-3-17-20-16(21-27-17)13-23-7-9-24(10-8-23)15-5-4-6-25(18(15)26)14-11-19-22(2)12-14/h11-12,15H,3-10,13H2,1-2H3
InChIKeyQGTOEDURFMFJLQ-UHFFFAOYSA-N
XLogP0.68
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 75468135) is 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is CCc1nc(CN2CCN(C3CCCN(c4cnn(C)c4)C3=O)CC2)no1.
What is the InChIKey of 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is QGTOEDURFMFJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-3-17-20-16(21-27-17)13-23-7-9-24(10-8-23)15-5-4-6-25(18(15)26)14-11-19-22(2)12-14/h11-12,15H,3-10,13H2,1-2H3.
What are the key properties of 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 373.46 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 75468135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).