(2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C23H28N4O3 — CID 26401475

About (2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

(2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 26401475) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
• PubChem CID: 26401475
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: (2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
• SMILES: CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)o2)CC1)c1ccccc1
• InChI: InChI=1S/C23H28N4O3/c1-17-8-9-20(30-17)16-26-14-11-19(12-15-26)27-21(10-13-24-27)25-23(28)22(29-2)18-6-4-3-5-7-18/h3-10,13,19,22H,11-12,14-16H2,1-2H3,(H,25,28)/t22-/m1/s1
• InChIKey: UBSHTAAWRPQPJH-JOCHJYFZSA-N
• XLogP: 3.95
• TPSA: 72.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 26401475) is (2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

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

The canonical SMILES for (2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C)o2)CC1)c1ccccc1.

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

The InChIKey is UBSHTAAWRPQPJH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-8-9-20(30-17)16-26-14-11-19(12-15-26)27-21(10-13-24-27)25-23(28)22(29-2)18-6-4-3-5-7-18/h3-10,13,19,22H,11-12,14-16H2,1-2H3,(H,25,28)/t22-/m1/s1.

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

(2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 408.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-methoxy-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 26401475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).