[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone

C19H26N4O2 — CID 51094038

IUPAC[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1noc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)n1
InChIInChI=1S/C19H26N4O2/c1-4-17-21-18(25-22-17)11-20-16-8-7-15(10-14(16)3)19(24)23-9-5-6-13(2)12-23/h7-8,10,13,20H,4-6,9,11-12H2,1-3H3
InChIKeyPKVRNWNTXSOHIL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.42
Rot. Bonds5

About [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone

[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 51094038) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID51094038
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1noc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)n1
InChIInChI=1S/C19H26N4O2/c1-4-17-21-18(25-22-17)11-20-16-8-7-15(10-14(16)3)19(24)23-9-5-6-13(2)12-23/h7-8,10,13,20H,4-6,9,11-12H2,1-3H3
InChIKeyPKVRNWNTXSOHIL-UHFFFAOYSA-N
XLogP3.42
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone (CID 51094038) is [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone is CCc1noc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)n1.
What is the InChIKey of [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PKVRNWNTXSOHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-17-21-18(25-22-17)11-20-16-8-7-15(10-14(16)3)19(24)23-9-5-6-13(2)12-23/h7-8,10,13,20H,4-6,9,11-12H2,1-3H3.
What are the key properties of [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone?
[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 51094038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).