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

C17H22N4O2 — CID 45209074

IUPAC[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1ccc(NC2CCCN(C(=O)c3nonc3C)C2)cc1C
InChIInChI=1S/C17H22N4O2/c1-11-6-7-14(9-12(11)2)18-15-5-4-8-21(10-15)17(22)16-13(3)19-23-20-16/h6-7,9,15,18H,4-5,8,10H2,1-3H3
InChIKeyZRNXLCFKHFQCLP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.71
Rot. Bonds3

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

[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 45209074) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID45209074
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1ccc(NC2CCCN(C(=O)c3nonc3C)C2)cc1C
InChIInChI=1S/C17H22N4O2/c1-11-6-7-14(9-12(11)2)18-15-5-4-8-21(10-15)17(22)16-13(3)19-23-20-16/h6-7,9,15,18H,4-5,8,10H2,1-3H3
InChIKeyZRNXLCFKHFQCLP-UHFFFAOYSA-N
XLogP2.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 45209074) is [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1ccc(NC2CCCN(C(=O)c3nonc3C)C2)cc1C.
What is the InChIKey of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is ZRNXLCFKHFQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-6-7-14(9-12(11)2)18-15-5-4-8-21(10-15)17(22)16-13(3)19-23-20-16/h6-7,9,15,18H,4-5,8,10H2,1-3H3.
What are the key properties of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 45209074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).