N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide

C23H37FN4O — CID 74500256

About N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide

N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide (PubChem CID 74500256) has the molecular formula C23H37FN4O and a molecular weight of 404.57 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide
• PubChem CID: 74500256
• Molecular Formula: C23H37FN4O
• Molecular Weight: 404.57 g/mol
• Exact Mass: 404.30
• IUPAC Name: N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide
• SMILES: CC(C)CC1CC(C(=O)N(C)CC2CCCN(CCc3ccccc3F)C2)NN1
• InChI: InChI=1S/C23H37FN4O/c1-17(2)13-20-14-22(26-25-20)23(29)27(3)15-18-7-6-11-28(16-18)12-10-19-8-4-5-9-21(19)24/h4-5,8-9,17-18,20,22,25-26H,6-7,10-16H2,1-3H3
• InChIKey: RDGPJSDDNARKGX-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 47.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.57
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide?

The IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide (CID 74500256) is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide.

What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide?

The canonical SMILES for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide is CC(C)CC1CC(C(=O)N(C)CC2CCCN(CCc3ccccc3F)C2)NN1.

What is the InChIKey of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide?

The InChIKey is RDGPJSDDNARKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37FN4O/c1-17(2)13-20-14-22(26-25-20)23(29)27(3)15-18-7-6-11-28(16-18)12-10-19-8-4-5-9-21(19)24/h4-5,8-9,17-18,20,22,25-26H,6-7,10-16H2,1-3H3.

What are the key properties of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide?

N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide has a molecular weight of 404.57 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-5-(2-methylpropyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 74500256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).