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

C24H32N4O2 — CID 24791017

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)CCCN2CCCCC2=O)cc1C
InChIInChI=1S/C24H32N4O2/c1-17-11-12-19(15-18(17)2)28-22-8-5-7-21(20(22)16-25-28)26-23(29)9-6-14-27-13-4-3-10-24(27)30/h11-12,15-16,21H,3-10,13-14H2,1-2H3,(H,26,29)
InChIKeyPTYUDJAGLRKKDD-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.78
Rot. Bonds6

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

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 24791017) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID24791017
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)CCCN2CCCCC2=O)cc1C
InChIInChI=1S/C24H32N4O2/c1-17-11-12-19(15-18(17)2)28-22-8-5-7-21(20(22)16-25-28)26-23(29)9-6-14-27-13-4-3-10-24(27)30/h11-12,15-16,21H,3-10,13-14H2,1-2H3,(H,26,29)
InChIKeyPTYUDJAGLRKKDD-UHFFFAOYSA-N
XLogP3.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide (CID 24791017) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide is Cc1ccc(-n2ncc3c2CCCC3NC(=O)CCCN2CCCCC2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is PTYUDJAGLRKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17-11-12-19(15-18(17)2)28-22-8-5-7-21(20(22)16-25-28)26-23(29)9-6-14-27-13-4-3-10-24(27)30/h11-12,15-16,21H,3-10,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 408.55 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 24791017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).