1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine

C17H26N6O — CID 56803218

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine
SMILESCCc1nc(CN2CCCC(N(C)Cc3cnc(C)cn3)C2)no1
InChIInChI=1S/C17H26N6O/c1-4-17-20-16(21-24-17)12-23-7-5-6-15(11-23)22(3)10-14-9-18-13(2)8-19-14/h8-9,15H,4-7,10-12H2,1-3H3
InChIKeyGCPHHOGMBFQIGZ-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.83
Rot. Bonds6

About 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine (PubChem CID 56803218) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine
PubChem CID56803218
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine
SMILESCCc1nc(CN2CCCC(N(C)Cc3cnc(C)cn3)C2)no1
InChIInChI=1S/C17H26N6O/c1-4-17-20-16(21-24-17)12-23-7-5-6-15(11-23)22(3)10-14-9-18-13(2)8-19-14/h8-9,15H,4-7,10-12H2,1-3H3
InChIKeyGCPHHOGMBFQIGZ-UHFFFAOYSA-N
XLogP1.83
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine (CID 56803218) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine is CCc1nc(CN2CCCC(N(C)Cc3cnc(C)cn3)C2)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine?
The InChIKey is GCPHHOGMBFQIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-17-20-16(21-24-17)12-23-7-5-6-15(11-23)22(3)10-14-9-18-13(2)8-19-14/h8-9,15H,4-7,10-12H2,1-3H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 56803218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).