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

C20H27N3O2 — CID 91888792

IUPAC(4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-4-15-5-7-17(8-6-15)20(24)23-11-9-16(10-12-23)13-18-21-19(14(2)3)22-25-18/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyGKYNNHNXTBSJCP-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.85
Rot. Bonds5

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

(4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91888792) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID91888792
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-4-15-5-7-17(8-6-15)20(24)23-11-9-16(10-12-23)13-18-21-19(14(2)3)22-25-18/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyGKYNNHNXTBSJCP-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 91888792) is (4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is GKYNNHNXTBSJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-15-5-7-17(8-6-15)20(24)23-11-9-16(10-12-23)13-18-21-19(14(2)3)22-25-18/h5-8,14,16H,4,9-13H2,1-3H3.
What are the key properties of (4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91888792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).