1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one

C18H24N4O3 — CID 71972196

IUPAC1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one
SMILESCOc1ccc(-c2noc(C(CC(C)C)N3CCCCC3=O)n2)cn1
InChIInChI=1S/C18H24N4O3/c1-12(2)10-14(22-9-5-4-6-16(22)23)18-20-17(21-25-18)13-7-8-15(24-3)19-11-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyLZRVJOZVACRASK-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.24
Rot. Bonds6

About 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one

1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one (PubChem CID 71972196) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one
PubChem CID71972196
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one
SMILESCOc1ccc(-c2noc(C(CC(C)C)N3CCCCC3=O)n2)cn1
InChIInChI=1S/C18H24N4O3/c1-12(2)10-14(22-9-5-4-6-16(22)23)18-20-17(21-25-18)13-7-8-15(24-3)19-11-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyLZRVJOZVACRASK-UHFFFAOYSA-N
XLogP3.24
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one 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-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one?
The IUPAC name of 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one (CID 71972196) is 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one.
What is the SMILES notation for 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one?
The canonical SMILES for 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one is COc1ccc(-c2noc(C(CC(C)C)N3CCCCC3=O)n2)cn1.
What is the InChIKey of 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one?
The InChIKey is LZRVJOZVACRASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)10-14(22-9-5-4-6-16(22)23)18-20-17(21-25-18)13-7-8-15(24-3)19-11-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one?
1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one is sourced from PubChem (CID 71972196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).