2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone

C21H24ClFN2O2 — CID 147856535

About 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone

2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone (PubChem CID 147856535) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
• PubChem CID: 147856535
• Molecular Formula: C21H24ClFN2O2
• Molecular Weight: 390.89 g/mol
• Exact Mass: 390.15
• IUPAC Name: 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
• SMILES: CC(C)Oc1ccc(F)cc1-c1cc(CC(=O)[C@@H]2CCCNC2)ncc1Cl
• InChI: InChI=1S/C21H24ClFN2O2/c1-13(2)27-21-6-5-15(23)8-18(21)17-9-16(25-12-19(17)22)10-20(26)14-4-3-7-24-11-14/h5-6,8-9,12-14,24H,3-4,7,10-11H2,1-2H3/t14-/m1/s1
• InChIKey: HVVPXRYCGPLBRE-CQSZACIVSA-N
• XLogP: 4.44
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.89
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?

The IUPAC name of 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone (CID 147856535) is 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone.

What is the SMILES notation for 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?

The canonical SMILES for 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone is CC(C)Oc1ccc(F)cc1-c1cc(CC(=O)[C@@H]2CCCNC2)ncc1Cl.

What is the InChIKey of 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?

The InChIKey is HVVPXRYCGPLBRE-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c1-13(2)27-21-6-5-15(23)8-18(21)17-9-16(25-12-19(17)22)10-20(26)14-4-3-7-24-11-14/h5-6,8-9,12-14,24H,3-4,7,10-11H2,1-2H3/t14-/m1/s1.

What are the key properties of 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?

2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone has a molecular weight of 390.89 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone is sourced from PubChem (CID 147856535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).