1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one

C15H23N3O3 — CID 166414360

IUPAC1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(CCOC)(c2nc(CC)no2)CC1
InChIInChI=1S/C15H23N3O3/c1-4-12-16-14(21-17-12)15(8-11-20-3)6-9-18(10-7-15)13(19)5-2/h5H,2,4,6-11H2,1,3H3
InChIKeyIXPRDBNKIRRZJP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.71
Rot. Bonds6

About 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one

1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 166414360) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one
PubChem CID166414360
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(CCOC)(c2nc(CC)no2)CC1
InChIInChI=1S/C15H23N3O3/c1-4-12-16-14(21-17-12)15(8-11-20-3)6-9-18(10-7-15)13(19)5-2/h5H,2,4,6-11H2,1,3H3
InChIKeyIXPRDBNKIRRZJP-UHFFFAOYSA-N
XLogP1.71
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one (CID 166414360) is 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(CCOC)(c2nc(CC)no2)CC1.
What is the InChIKey of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is IXPRDBNKIRRZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-12-16-14(21-17-12)15(8-11-20-3)6-9-18(10-7-15)13(19)5-2/h5H,2,4,6-11H2,1,3H3.
What are the key properties of 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one?
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 293.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166414360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).