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

C20H28N4O2 — CID 72848101

IUPAC2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(C(=O)N2CCC(Cc3noc(C)n3)CC2)N(C)C)cc1
InChIInChI=1S/C20H28N4O2/c1-14-5-7-17(8-6-14)19(23(3)4)20(25)24-11-9-16(10-12-24)13-18-21-15(2)26-22-18/h5-8,16,19H,9-13H2,1-4H3
InChIKeyHOEOVNWFPPIJEF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.77
Rot. Bonds5

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

2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 72848101) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID72848101
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(C(=O)N2CCC(Cc3noc(C)n3)CC2)N(C)C)cc1
InChIInChI=1S/C20H28N4O2/c1-14-5-7-17(8-6-14)19(23(3)4)20(25)24-11-9-16(10-12-24)13-18-21-15(2)26-22-18/h5-8,16,19H,9-13H2,1-4H3
InChIKeyHOEOVNWFPPIJEF-UHFFFAOYSA-N
XLogP2.77
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 72848101) is 2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(C(C(=O)N2CCC(Cc3noc(C)n3)CC2)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is HOEOVNWFPPIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-5-7-17(8-6-14)19(23(3)4)20(25)24-11-9-16(10-12-24)13-18-21-15(2)26-22-18/h5-8,16,19H,9-13H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 72848101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).