4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide

C19H19FN4O — CID 14032641

IUPAC4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2nn(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H19FN4O/c20-14-5-7-15(8-6-14)24-17-4-2-1-3-16(17)18(22-24)13-9-11-23(12-10-13)19(21)25/h1-8,13H,9-12H2,(H2,21,25)
InChIKeyXCXYXGLSCIVSQT-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.42
Rot. Bonds2

About 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide

4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide (PubChem CID 14032641) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide
PubChem CID14032641
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2nn(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H19FN4O/c20-14-5-7-15(8-6-14)24-17-4-2-1-3-16(17)18(22-24)13-9-11-23(12-10-13)19(21)25/h1-8,13H,9-12H2,(H2,21,25)
InChIKeyXCXYXGLSCIVSQT-UHFFFAOYSA-N
XLogP3.42
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide (CID 14032641) is 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide is NC(=O)N1CCC(c2nn(-c3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide?
The InChIKey is XCXYXGLSCIVSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-14-5-7-15(8-6-14)24-17-4-2-1-3-16(17)18(22-24)13-9-11-23(12-10-13)19(21)25/h1-8,13H,9-12H2,(H2,21,25).
What are the key properties of 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide?
4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 14032641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).