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

C17H28N4O2 — CID 119744960

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
SMILESCc1noc(C2CCN(C(=O)CC(C)C3CCNCC3)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-12(14-3-7-18-8-4-14)11-16(22)21-9-5-15(6-10-21)17-19-13(2)20-23-17/h12,14-15,18H,3-11H2,1-2H3
InChIKeyXFOUOXYPSOJEQK-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.11
Rot. Bonds4

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one (PubChem CID 119744960) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
PubChem CID119744960
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
SMILESCc1noc(C2CCN(C(=O)CC(C)C3CCNCC3)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-12(14-3-7-18-8-4-14)11-16(22)21-9-5-15(6-10-21)17-19-13(2)20-23-17/h12,14-15,18H,3-11H2,1-2H3
InChIKeyXFOUOXYPSOJEQK-UHFFFAOYSA-N
XLogP2.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one (CID 119744960) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one is Cc1noc(C2CCN(C(=O)CC(C)C3CCNCC3)CC2)n1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one?
The InChIKey is XFOUOXYPSOJEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(14-3-7-18-8-4-14)11-16(22)21-9-5-15(6-10-21)17-19-13(2)20-23-17/h12,14-15,18H,3-11H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one?
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one has a molecular weight of 320.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119744960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).