(2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C18H22N4O3 — CID 75392914

IUPAC(2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccnc(OC4CCC4)c3)CC2)no1
InChIInChI=1S/C18H22N4O3/c1-12-20-17(21-25-12)13-6-9-22(10-7-13)18(23)14-5-8-19-16(11-14)24-15-3-2-4-15/h5,8,11,13,15H,2-4,6-7,9-10H2,1H3
InChIKeyWIWKXZACYVMTNH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.72
Rot. Bonds4

About (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

(2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 75392914) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID75392914
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccnc(OC4CCC4)c3)CC2)no1
InChIInChI=1S/C18H22N4O3/c1-12-20-17(21-25-12)13-6-9-22(10-7-13)18(23)14-5-8-19-16(11-14)24-15-3-2-4-15/h5,8,11,13,15H,2-4,6-7,9-10H2,1H3
InChIKeyWIWKXZACYVMTNH-UHFFFAOYSA-N
XLogP2.72
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 75392914) is (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)c3ccnc(OC4CCC4)c3)CC2)no1.
What is the InChIKey of (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is WIWKXZACYVMTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-20-17(21-25-12)13-6-9-22(10-7-13)18(23)14-5-8-19-16(11-14)24-15-3-2-4-15/h5,8,11,13,15H,2-4,6-7,9-10H2,1H3.
What are the key properties of (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyloxy-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 75392914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).