1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone

C17H23N3O2 — CID 51090766

IUPAC1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2cccc3[nH]ncc23)CC1
InChIInChI=1S/C17H23N3O2/c1-12(2)11-22-13-6-8-20(9-7-13)17(21)14-4-3-5-16-15(14)10-18-19-16/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyCDVAXOPLUDCZNP-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.84
Rot. Bonds4

About 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone

1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone (PubChem CID 51090766) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
PubChem CID51090766
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2cccc3[nH]ncc23)CC1
InChIInChI=1S/C17H23N3O2/c1-12(2)11-22-13-6-8-20(9-7-13)17(21)14-4-3-5-16-15(14)10-18-19-16/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyCDVAXOPLUDCZNP-UHFFFAOYSA-N
XLogP2.84
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369
1-[7-(1H-indazole-4-carbonyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-methylpropan-1-one
CID 171674633
1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
CID 11514570
[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119946020
[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166229211
(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129469253
1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95736162
1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166207015
1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 166329109

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone (CID 51090766) is 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone is CC(C)COC1CCN(C(=O)c2cccc3[nH]ncc23)CC1.
What is the InChIKey of 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone?
The InChIKey is CDVAXOPLUDCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)11-22-13-6-8-20(9-7-13)17(21)14-4-3-5-16-15(14)10-18-19-16/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone?
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 51090766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).