5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one

C16H19N3O2 — CID 72892822

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one
SMILESCc1noc(C2CCC(=O)N(CCc3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O2/c1-12-17-16(21-18-12)14-7-8-15(20)19(11-14)10-9-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyDNSAKNQLBBZKHQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.33
Rot. Bonds4

About 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one

5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one (PubChem CID 72892822) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one
PubChem CID72892822
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one
SMILESCc1noc(C2CCC(=O)N(CCc3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O2/c1-12-17-16(21-18-12)14-7-8-15(20)19(11-14)10-9-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyDNSAKNQLBBZKHQ-UHFFFAOYSA-N
XLogP2.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one 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 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one (CID 72892822) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one is Cc1noc(C2CCC(=O)N(CCc3ccccc3)C2)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is DNSAKNQLBBZKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-17-16(21-18-12)14-7-8-15(20)19(11-14)10-9-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3.
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 72892822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).