3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide

C17H21FN4O2 — CID 126777817

IUPAC3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide
SMILESCC(=O)N1CCC(CCC(=O)Nc2n[nH]c3cccc(F)c23)CC1
InChIInChI=1S/C17H21FN4O2/c1-11(23)22-9-7-12(8-10-22)5-6-15(24)19-17-16-13(18)3-2-4-14(16)20-21-17/h2-4,12H,5-10H2,1H3,(H2,19,20,21,24)
InChIKeyJVYHGGMEPBAQJJ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.68
Rot. Bonds4

About 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide

3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide (PubChem CID 126777817) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide
PubChem CID126777817
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide
SMILESCC(=O)N1CCC(CCC(=O)Nc2n[nH]c3cccc(F)c23)CC1
InChIInChI=1S/C17H21FN4O2/c1-11(23)22-9-7-12(8-10-22)5-6-15(24)19-17-16-13(18)3-2-4-14(16)20-21-17/h2-4,12H,5-10H2,1H3,(H2,19,20,21,24)
InChIKeyJVYHGGMEPBAQJJ-UHFFFAOYSA-N
XLogP2.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide (CID 126777817) is 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide is CC(=O)N1CCC(CCC(=O)Nc2n[nH]c3cccc(F)c23)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide?
The InChIKey is JVYHGGMEPBAQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11(23)22-9-7-12(8-10-22)5-6-15(24)19-17-16-13(18)3-2-4-14(16)20-21-17/h2-4,12H,5-10H2,1H3,(H2,19,20,21,24).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide?
3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide has a molecular weight of 332.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 126777817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).