(2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C23H28N4O5 — CID 42310960

About (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

(2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 42310960) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
• PubChem CID: 42310960
• Molecular Formula: C23H28N4O5
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.21
• IUPAC Name: (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
• SMILES: CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)C2=C(C)OCCO2)CC1)c1ccccc1
• InChI: InChI=1S/C23H28N4O5/c1-16-20(32-15-14-31-16)23(29)26-12-9-18(10-13-26)27-19(8-11-24-27)25-22(28)21(30-2)17-6-4-3-5-7-17/h3-8,11,18,21H,9-10,12-15H2,1-2H3,(H,25,28)/t21-/m1/s1
• InChIKey: NMCQUBIXOULWRU-OAQYLSRUSA-N
• XLogP: 2.65
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?

The IUPAC name of (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 42310960) is (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

What is the SMILES notation for (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?

The canonical SMILES for (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)C2=C(C)OCCO2)CC1)c1ccccc1.

What is the InChIKey of (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?

The InChIKey is NMCQUBIXOULWRU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-16-20(32-15-14-31-16)23(29)26-12-9-18(10-13-26)27-19(8-11-24-27)25-22(28)21(30-2)17-6-4-3-5-7-17/h3-8,11,18,21H,9-10,12-15H2,1-2H3,(H,25,28)/t21-/m1/s1.

What are the key properties of (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?

(2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 440.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-methoxy-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 42310960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).