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

C18H24N4O2 — CID 24790725

IUPAC1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1ccc(NC2CCCN(C(=O)Cc3nonc3C)C2)cc1C
InChIInChI=1S/C18H24N4O2/c1-12-6-7-15(9-13(12)2)19-16-5-4-8-22(11-16)18(23)10-17-14(3)20-24-21-17/h6-7,9,16,19H,4-5,8,10-11H2,1-3H3
InChIKeyNCCREFDYOVYRJL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.64
Rot. Bonds4

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

1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 24790725) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
PubChem CID24790725
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1ccc(NC2CCCN(C(=O)Cc3nonc3C)C2)cc1C
InChIInChI=1S/C18H24N4O2/c1-12-6-7-15(9-13(12)2)19-16-5-4-8-22(11-16)18(23)10-17-14(3)20-24-21-17/h6-7,9,16,19H,4-5,8,10-11H2,1-3H3
InChIKeyNCCREFDYOVYRJL-UHFFFAOYSA-N
XLogP2.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone 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-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 24790725) is 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1ccc(NC2CCCN(C(=O)Cc3nonc3C)C2)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The InChIKey is NCCREFDYOVYRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-6-7-15(9-13(12)2)19-16-5-4-8-22(11-16)18(23)10-17-14(3)20-24-21-17/h6-7,9,16,19H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 24790725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).