N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide

C28H32N4O3 — CID 132767919

About N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide

N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide (PubChem CID 132767919) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide
• PubChem CID: 132767919
• Molecular Formula: C28H32N4O3
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.25
• IUPAC Name: N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide
• SMILES: Cc1ccccc1Oc1nccnc1C1CCCN(C(=O)C(C)(C)NC(=O)Cc2ccccc2)C1
• InChI: InChI=1S/C28H32N4O3/c1-20-10-7-8-14-23(20)35-26-25(29-15-16-30-26)22-13-9-17-32(19-22)27(34)28(2,3)31-24(33)18-21-11-5-4-6-12-21/h4-8,10-12,14-16,22H,9,13,17-19H2,1-3H3,(H,31,33)
• InChIKey: LXSIHZOOCISSSB-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide?

The IUPAC name of N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide (CID 132767919) is N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide.

What is the SMILES notation for N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide?

The canonical SMILES for N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide is Cc1ccccc1Oc1nccnc1C1CCCN(C(=O)C(C)(C)NC(=O)Cc2ccccc2)C1.

What is the InChIKey of N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide?

The InChIKey is LXSIHZOOCISSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20-10-7-8-14-23(20)35-26-25(29-15-16-30-26)22-13-9-17-32(19-22)27(34)28(2,3)31-24(33)18-21-11-5-4-6-12-21/h4-8,10-12,14-16,22H,9,13,17-19H2,1-3H3,(H,31,33).

What are the key properties of N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide?

N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide has a molecular weight of 472.59 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-1-[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 132767919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).