cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone

C19H24FN3O — CID 73437758

IUPACcyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C19H24FN3O/c20-15-6-7-16-17(12-15)21-22-18(16)13-8-10-23(11-9-13)19(24)14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H,21,22)
InChIKeyDWIGIKIGEUHCAX-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.99
Rot. Bonds2

About cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone

cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone (PubChem CID 73437758) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone
PubChem CID73437758
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Namecyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C19H24FN3O/c20-15-6-7-16-17(12-15)21-22-18(16)13-8-10-23(11-9-13)19(24)14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H,21,22)
InChIKeyDWIGIKIGEUHCAX-UHFFFAOYSA-N
XLogP3.99
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone (CID 73437758) is cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(c2[nH]nc3cc(F)ccc23)CC1.
What is the InChIKey of cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is DWIGIKIGEUHCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-15-6-7-16-17(12-15)21-22-18(16)13-8-10-23(11-9-13)19(24)14-4-2-1-3-5-14/h6-7,12-14H,1-5,8-11H2,(H,21,22).
What are the key properties of cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone?
cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 329.42 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 73437758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).