1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole

C17H22N4O2 — CID 68609697

IUPAC1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cnn(C3CCN(C4CCCC4)CC3)c2c1
InChIInChI=1S/C17H22N4O2/c22-21(23)16-6-5-13-12-18-20(17(13)11-16)15-7-9-19(10-8-15)14-3-1-2-4-14/h5-6,11-12,14-15H,1-4,7-10H2
InChIKeySMYBSQVSFVROOJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.52
Rot. Bonds3

About 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole

1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole (PubChem CID 68609697) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole
PubChem CID68609697
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cnn(C3CCN(C4CCCC4)CC3)c2c1
InChIInChI=1S/C17H22N4O2/c22-21(23)16-6-5-13-12-18-20(17(13)11-16)15-7-9-19(10-8-15)14-3-1-2-4-14/h5-6,11-12,14-15H,1-4,7-10H2
InChIKeySMYBSQVSFVROOJ-UHFFFAOYSA-N
XLogP3.52
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-nitro-2H-indazole
CID 97550
2-Methyl-6-nitro-2H-indazole
CID 81289
6-Nitro-2-phenyl-2H-indazole
CID 555231
1H-Indazole, 1-methyl-6-nitro-
CID 81290
2-(4-Methylphenyl)-6-nitro-2H-indazole
CID 620060
1-(2-methylphenyl)-4,6-dinitro-1H-indazole
CID 3932660
6-nitro-2-(3-nitrophenyl)-2H-indazole
CID 4413334
2-benzyl-5-nitro-2H-indazole
CID 4653102
1-Methyl-5-nitro-1H-indazole
CID 280211
7-Nitro-4-p-tolyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 24982192
2-Methyl-4-nitro-2H-indazole
CID 280212
1-Methyl-4-nitro-1H-indazole
CID 280213

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole (CID 68609697) is 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole is O=[N+]([O-])c1ccc2cnn(C3CCN(C4CCCC4)CC3)c2c1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole?
The InChIKey is SMYBSQVSFVROOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-21(23)16-6-5-13-12-18-20(17(13)11-16)15-7-9-19(10-8-15)14-3-1-2-4-14/h5-6,11-12,14-15H,1-4,7-10H2.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole?
1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole has a molecular weight of 314.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole is sourced from PubChem (CID 68609697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).