1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide

C24H32N4O3 — CID 24816617

IUPAC1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-16(29)27-11-9-17(10-12-27)23(30)26-21-13-24(2,3)14-22-20(21)15-25-28(22)18-5-7-19(31-4)8-6-18/h5-8,15,17,21H,9-14H2,1-4H3,(H,26,30)
InChIKeySJKFNZOJCHOYMS-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.27
Rot. Bonds4

About 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide

1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide (PubChem CID 24816617) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
PubChem CID24816617
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-16(29)27-11-9-17(10-12-27)23(30)26-21-13-24(2,3)14-22-20(21)15-25-28(22)18-5-7-19(31-4)8-6-18/h5-8,15,17,21H,9-14H2,1-4H3,(H,26,30)
InChIKeySJKFNZOJCHOYMS-UHFFFAOYSA-N
XLogP3.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

Tert-butyl 4-[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16024071
Tert-butyl 4-[4-(benzylcarbamoyl)-1-(4-methoxyphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16024157
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723549
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 24791125
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxamide
CID 24791156
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24791319
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-(1H-1,2,4-triazol-1-yl)butanamide
CID 24791549
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 24793838
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 24817323
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-methoxybenzamide
CID 24817340
1-(4-fluoro-3-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24818940

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide (CID 24816617) is 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide?
The InChIKey is SJKFNZOJCHOYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16(29)27-11-9-17(10-12-27)23(30)26-21-13-24(2,3)14-22-20(21)15-25-28(22)18-5-7-19(31-4)8-6-18/h5-8,15,17,21H,9-14H2,1-4H3,(H,26,30).
What are the key properties of 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide?
1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24816617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).