2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide

C27H34N4O2 — CID 45210189

About 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide

2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 45210189) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
• PubChem CID: 45210189
• Molecular Formula: C27H34N4O2
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.27
• IUPAC Name: 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
• SMILES: COC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccccc1
• InChI: InChI=1S/C27H34N4O2/c1-20(2)22-11-9-21(10-12-22)19-30-17-14-24(15-18-30)31-25(13-16-28-31)29-27(32)26(33-3)23-7-5-4-6-8-23/h4-13,16,20,24,26H,14-15,17-19H2,1-3H3,(H,29,32)
• InChIKey: NKYQUQZPFSDXLH-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?

The IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (CID 45210189) is 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?

The canonical SMILES for 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccccc1.

What is the InChIKey of 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?

The InChIKey is NKYQUQZPFSDXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20(2)22-11-9-21(10-12-22)19-30-17-14-24(15-18-30)31-25(13-16-28-31)29-27(32)26(33-3)23-7-5-4-6-8-23/h4-13,16,20,24,26H,14-15,17-19H2,1-3H3,(H,29,32).

What are the key properties of 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?

2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 446.60 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 45210189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).