[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone

C16H28N6O2 — CID 143943642

IUPAC[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESCNCc1nc(C(=O)N2CCN(CC3CCN(C)CC3)CC2)no1
InChIInChI=1S/C16H28N6O2/c1-17-11-14-18-15(19-24-14)16(23)22-9-7-21(8-10-22)12-13-3-5-20(2)6-4-13/h13,17H,3-12H2,1-2H3
InChIKeyOKBXSMBPQASGLM-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.11
Rot. Bonds5

About [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone

[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 143943642) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID143943642
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESCNCc1nc(C(=O)N2CCN(CC3CCN(C)CC3)CC2)no1
InChIInChI=1S/C16H28N6O2/c1-17-11-14-18-15(19-24-14)16(23)22-9-7-21(8-10-22)12-13-3-5-20(2)6-4-13/h13,17H,3-12H2,1-2H3
InChIKeyOKBXSMBPQASGLM-UHFFFAOYSA-N
XLogP-0.11
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone (CID 143943642) is [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone is CNCc1nc(C(=O)N2CCN(CC3CCN(C)CC3)CC2)no1.
What is the InChIKey of [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is OKBXSMBPQASGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-17-11-14-18-15(19-24-14)16(23)22-9-7-21(8-10-22)12-13-3-5-20(2)6-4-13/h13,17H,3-12H2,1-2H3.
What are the key properties of [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 143943642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).