1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one

C15H26N4O2 — CID 71927655

IUPAC1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NC(C)c2nc(C)no2)C(CC)C1
InChIInChI=1S/C15H26N4O2/c1-5-12-9-19(14(20)6-2)8-7-13(12)16-10(3)15-17-11(4)18-21-15/h10,12-13,16H,5-9H2,1-4H3
InChIKeyQOWVLJXOYJTTGK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.07
Rot. Bonds5

About 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one

1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one (PubChem CID 71927655) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one
PubChem CID71927655
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NC(C)c2nc(C)no2)C(CC)C1
InChIInChI=1S/C15H26N4O2/c1-5-12-9-19(14(20)6-2)8-7-13(12)16-10(3)15-17-11(4)18-21-15/h10,12-13,16H,5-9H2,1-4H3
InChIKeyQOWVLJXOYJTTGK-UHFFFAOYSA-N
XLogP2.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one (CID 71927655) is 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(NC(C)c2nc(C)no2)C(CC)C1.
What is the InChIKey of 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one?
The InChIKey is QOWVLJXOYJTTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-12-9-19(14(20)6-2)8-7-13(12)16-10(3)15-17-11(4)18-21-15/h10,12-13,16H,5-9H2,1-4H3.
What are the key properties of 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one?
1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one has a molecular weight of 294.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71927655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).