N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide

C24H32N4O2 — CID 24791609

IUPACN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCCC3NC(=O)CN2CCCCC2=O)cc1
InChIInChI=1S/C24H32N4O2/c1-24(2,3)17-10-12-18(13-11-17)28-21-8-6-7-20(19(21)15-25-28)26-22(29)16-27-14-5-4-9-23(27)30/h10-13,15,20H,4-9,14,16H2,1-3H3,(H,26,29)
InChIKeyGDIGYZGCJSKALF-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.68
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide

N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 24791609) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID24791609
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCCC3NC(=O)CN2CCCCC2=O)cc1
InChIInChI=1S/C24H32N4O2/c1-24(2,3)17-10-12-18(13-11-17)28-21-8-6-7-20(19(21)15-25-28)26-22(29)16-27-14-5-4-9-23(27)30/h10-13,15,20H,4-9,14,16H2,1-3H3,(H,26,29)
InChIKeyGDIGYZGCJSKALF-UHFFFAOYSA-N
XLogP3.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide (CID 24791609) is N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide is CC(C)(C)c1ccc(-n2ncc3c2CCCC3NC(=O)CN2CCCCC2=O)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is GDIGYZGCJSKALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-24(2,3)17-10-12-18(13-11-17)28-21-8-6-7-20(19(21)15-25-28)26-22(29)16-27-14-5-4-9-23(27)30/h10-13,15,20H,4-9,14,16H2,1-3H3,(H,26,29).
What are the key properties of N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 408.55 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 24791609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).