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

C18H24N4O2 — CID 95734813

IUPAC(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1nc([C@H]2CCCN(C(=O)[C@H](c3ccccc3)N(C)C)C2)no1
InChIInChI=1S/C18H24N4O2/c1-13-19-17(20-24-13)15-10-7-11-22(12-15)18(23)16(21(2)3)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyODIZKOWPWAXUKL-HOTGVXAUSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds4

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

(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone (PubChem CID 95734813) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
PubChem CID95734813
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1nc([C@H]2CCCN(C(=O)[C@H](c3ccccc3)N(C)C)C2)no1
InChIInChI=1S/C18H24N4O2/c1-13-19-17(20-24-13)15-10-7-11-22(12-15)18(23)16(21(2)3)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyODIZKOWPWAXUKL-HOTGVXAUSA-N
XLogP2.39
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95773697
(2R)-2-(azepan-1-yl)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95769279
(2R)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934035
(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934036
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734396
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
(2R)-2-phenyl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734769
[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95771104
(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734189
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734429
2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
CID 110614924
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone (CID 95734813) is (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone is Cc1nc([C@H]2CCCN(C(=O)[C@H](c3ccccc3)N(C)C)C2)no1.
What is the InChIKey of (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is ODIZKOWPWAXUKL-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-19-17(20-24-13)15-10-7-11-22(12-15)18(23)16(21(2)3)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone?
(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 328.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 95734813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).