N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C26H31FN4O2 — CID 42120451

About N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 42120451) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 42120451
• Molecular Formula: C26H31FN4O2
• Molecular Weight: 450.56 g/mol
• Exact Mass: 450.24
• IUPAC Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
• SMILES: CCCn1ncc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c1C
• InChI: InChI=1S/C26H31FN4O2/c1-3-14-31-19(2)21(17-28-31)18-30-15-12-20(13-16-30)26(32)29-22-8-10-23(11-9-22)33-25-7-5-4-6-24(25)27/h4-11,17,20H,3,12-16,18H2,1-2H3,(H,29,32)
• InChIKey: JCPFKBGUXVZIKW-UHFFFAOYSA-N
• XLogP: 5.38
• 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	450.56
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 42120451) is N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CCCn1ncc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c1C.

What is the InChIKey of N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

The InChIKey is JCPFKBGUXVZIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-3-14-31-19(2)21(17-28-31)18-30-15-12-20(13-16-30)26(32)29-22-8-10-23(11-9-22)33-25-7-5-4-6-24(25)27/h4-11,17,20H,3,12-16,18H2,1-2H3,(H,29,32).

What are the key properties of N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42120451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).