2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

C21H28N4O4 — CID 88854142

IUPAC2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)N=O
InChIInChI=1S/C21H28N4O4/c1-14(2)19-22-21(29-24-19)25-10-8-16(9-11-25)5-4-12-28-17-6-7-18(15(3)13-17)20(26)23-27/h6-7,13-14,16H,4-5,8-12H2,1-3H3
InChIKeyWMYKTFOYEPOHBE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.48
Rot. Bonds8

About 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (PubChem CID 88854142) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.

Molecular Properties

Compound Name2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
PubChem CID88854142
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)N=O
InChIInChI=1S/C21H28N4O4/c1-14(2)19-22-21(29-24-19)25-10-8-16(9-11-25)5-4-12-28-17-6-7-18(15(3)13-17)20(26)23-27/h6-7,13-14,16H,4-5,8-12H2,1-3H3
InChIKeyWMYKTFOYEPOHBE-UHFFFAOYSA-N
XLogP4.48
TPSA97.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The IUPAC name of 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (CID 88854142) is 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.
What is the SMILES notation for 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The canonical SMILES for 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is Cc1cc(OCCCC2CCN(c3nc(C(C)C)no3)CC2)ccc1C(=O)N=O.
What is the InChIKey of 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The InChIKey is WMYKTFOYEPOHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14(2)19-22-21(29-24-19)25-10-8-16(9-11-25)5-4-12-28-17-6-7-18(15(3)13-17)20(26)23-27/h6-7,13-14,16H,4-5,8-12H2,1-3H3.
What are the key properties of 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-oxo-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is sourced from PubChem (CID 88854142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).