4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide

C26H37N5O4 — CID 67388748

IUPAC4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide
SMILESCc1cc(OCCCC2CCN(c3nc(C(C)(C)C)no3)CC2)ccc1C(=O)NC1CCNC1=O
InChIInChI=1S/C26H37N5O4/c1-17-16-19(7-8-20(17)22(32)28-21-9-12-27-23(21)33)34-15-5-6-18-10-13-31(14-11-18)25-29-24(30-35-25)26(2,3)4/h7-8,16,18,21H,5-6,9-15H2,1-4H3,(H,27,33)(H,28,32)
InChIKeyBEJPDAWZNQMGSD-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.37
Rot. Bonds8

About 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide

4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide (PubChem CID 67388748) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide
PubChem CID67388748
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide
SMILESCc1cc(OCCCC2CCN(c3nc(C(C)(C)C)no3)CC2)ccc1C(=O)NC1CCNC1=O
InChIInChI=1S/C26H37N5O4/c1-17-16-19(7-8-20(17)22(32)28-21-9-12-27-23(21)33)34-15-5-6-18-10-13-31(14-11-18)25-29-24(30-35-25)26(2,3)4/h7-8,16,18,21H,5-6,9-15H2,1-4H3,(H,27,33)(H,28,32)
InChIKeyBEJPDAWZNQMGSD-UHFFFAOYSA-N
XLogP3.37
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.37
H-Bond Donors ≤ 52
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 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide (CID 67388748) is 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide is Cc1cc(OCCCC2CCN(c3nc(C(C)(C)C)no3)CC2)ccc1C(=O)NC1CCNC1=O.
What is the InChIKey of 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is BEJPDAWZNQMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-17-16-19(7-8-20(17)22(32)28-21-9-12-27-23(21)33)34-15-5-6-18-10-13-31(14-11-18)25-29-24(30-35-25)26(2,3)4/h7-8,16,18,21H,5-6,9-15H2,1-4H3,(H,27,33)(H,28,32).
What are the key properties of 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide?
4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 483.61 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]-2-methyl-N-(2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 67388748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).