N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide

C22H28N4O2 — CID 24794019

IUPACN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)CN2CCCCC2=O)c1
InChIInChI=1S/C22H28N4O2/c1-15-10-16(2)12-17(11-15)26-20-7-5-6-19(18(20)13-23-26)24-21(27)14-25-9-4-3-8-22(25)28/h10-13,19H,3-9,14H2,1-2H3,(H,24,27)
InChIKeyFTBRYFFFKKKWIO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.00
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 24794019) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID24794019
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)CN2CCCCC2=O)c1
InChIInChI=1S/C22H28N4O2/c1-15-10-16(2)12-17(11-15)26-20-7-5-6-19(18(20)13-23-26)24-21(27)14-25-9-4-3-8-22(25)28/h10-13,19H,3-9,14H2,1-2H3,(H,24,27)
InChIKeyFTBRYFFFKKKWIO-UHFFFAOYSA-N
XLogP3.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide (CID 24794019) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide is Cc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)CN2CCCCC2=O)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is FTBRYFFFKKKWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-10-16(2)12-17(11-15)26-20-7-5-6-19(18(20)13-23-26)24-21(27)14-25-9-4-3-8-22(25)28/h10-13,19H,3-9,14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 24794019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).