N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C27H34N4O2 — CID 42460267

About N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 42460267) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 42460267
• Molecular Formula: C27H34N4O2
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.27
• IUPAC Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
• SMILES: CCCn1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c1C
• InChI: InChI=1S/C27H34N4O2/c1-4-14-31-20(2)23(18-28-31)19-30-15-12-21(13-16-30)27(32)29-26-11-6-5-10-25(26)22-8-7-9-24(17-22)33-3/h5-11,17-18,21H,4,12-16,19H2,1-3H3,(H,29,32)
• InChIKey: OOQOPFWVTXWHTR-UHFFFAOYSA-N
• XLogP: 5.13
• 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	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 42460267) is N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CCCn1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c1C.

What is the InChIKey of N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

The InChIKey is OOQOPFWVTXWHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-14-31-20(2)23(18-28-31)19-30-15-12-21(13-16-30)27(32)29-26-11-6-5-10-25(26)22-8-7-9-24(17-22)33-3/h5-11,17-18,21H,4,12-16,19H2,1-3H3,(H,29,32).

What are the key properties of N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide?

N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42460267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).