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

C20H27N3O2 — CID 91888793

IUPAC2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-14(2)20-21-18(25-22-20)12-17-8-10-23(11-9-17)19(24)13-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3
InChIKeySTAXRASYYAINLV-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.53
Rot. Bonds5

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

2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 91888793) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
PubChem CID91888793
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-14(2)20-21-18(25-22-20)12-17-8-10-23(11-9-17)19(24)13-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3
InChIKeySTAXRASYYAINLV-UHFFFAOYSA-N
XLogP3.53
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (CID 91888793) is 2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is STAXRASYYAINLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)20-21-18(25-22-20)12-17-8-10-23(11-9-17)19(24)13-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 341.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91888793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).