3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

C24H32FN3O2 — CID 29170646

About 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 29170646) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 29170646
• Molecular Formula: C24H32FN3O2
• Molecular Weight: 413.54 g/mol
• Exact Mass: 413.25
• IUPAC Name: 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: COc1ccc(F)c(CN2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c1
• InChI: InChI=1S/C24H32FN3O2/c1-27(15-12-21-7-3-4-13-26-21)24(29)11-8-19-6-5-14-28(17-19)18-20-16-22(30-2)9-10-23(20)25/h3-4,7,9-10,13,16,19H,5-6,8,11-12,14-15,17-18H2,1-2H3/t19-/m0/s1
• InChIKey: MLLKSGHPZNWZPF-IBGZPJMESA-N
• XLogP: 3.92
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.54
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (CID 29170646) is 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is COc1ccc(F)c(CN2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c1.

What is the InChIKey of 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is MLLKSGHPZNWZPF-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32FN3O2/c1-27(15-12-21-7-3-4-13-26-21)24(29)11-8-19-6-5-14-28(17-19)18-20-16-22(30-2)9-10-23(20)25/h3-4,7,9-10,13,16,19H,5-6,8,11-12,14-15,17-18H2,1-2H3/t19-/m0/s1.

What are the key properties of 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?

3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 413.54 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 29170646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).