(3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

C23H22BrFN4O2 — CID 92897343

About (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

(3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 92897343) has the molecular formula C23H22BrFN4O2 and a molecular weight of 485.36 g/mol. Its IUPAC name is (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
• PubChem CID: 92897343
• Molecular Formula: C23H22BrFN4O2
• Molecular Weight: 485.36 g/mol
• Exact Mass: 484.09
• IUPAC Name: (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
• SMILES: Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)Nc2ccc(Br)c(F)c2)C1
• InChI: InChI=1S/C23H22BrFN4O2/c1-15-5-2-3-7-20(15)31-23-21(26-10-11-27-23)29-12-4-6-16(14-29)22(30)28-17-8-9-18(24)19(25)13-17/h2-3,5,7-11,13,16H,4,6,12,14H2,1H3,(H,28,30)/t16-/m1/s1
• InChIKey: DMWIFFYEYRPASV-MRXNPFEDSA-N
• XLogP: 5.33
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.36
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (CID 92897343) is (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)Nc2ccc(Br)c(F)c2)C1.

What is the InChIKey of (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

The InChIKey is DMWIFFYEYRPASV-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22BrFN4O2/c1-15-5-2-3-7-20(15)31-23-21(26-10-11-27-23)29-12-4-6-16(14-29)22(30)28-17-8-9-18(24)19(25)13-17/h2-3,5,7-11,13,16H,4,6,12,14H2,1H3,(H,28,30)/t16-/m1/s1.

What are the key properties of (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

(3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 485.36 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92897343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).