3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide

C24H30ClFN2O3 — CID 45183538

About 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide

3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 45183538) has the molecular formula C24H30ClFN2O3 and a molecular weight of 448.97 g/mol. Its IUPAC name is 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
• PubChem CID: 45183538
• Molecular Formula: C24H30ClFN2O3
• Molecular Weight: 448.97 g/mol
• Exact Mass: 448.19
• IUPAC Name: 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
• SMILES: COc1ccc(CNC(=O)CCC2CCCN(Cc3c(F)cccc3Cl)C2)c(OC)c1
• InChI: InChI=1S/C24H30ClFN2O3/c1-30-19-10-9-18(23(13-19)31-2)14-27-24(29)11-8-17-5-4-12-28(15-17)16-20-21(25)6-3-7-22(20)26/h3,6-7,9-10,13,17H,4-5,8,11-12,14-16H2,1-2H3,(H,27,29)
• InChIKey: HVGBFOYCLJXOKX-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.97
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

The IUPAC name of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide (CID 45183538) is 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

What is the SMILES notation for 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

The canonical SMILES for 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCC2CCCN(Cc3c(F)cccc3Cl)C2)c(OC)c1.

What is the InChIKey of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

The InChIKey is HVGBFOYCLJXOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN2O3/c1-30-19-10-9-18(23(13-19)31-2)14-27-24(29)11-8-17-5-4-12-28(15-17)16-20-21(25)6-3-7-22(20)26/h3,6-7,9-10,13,17H,4-5,8,11-12,14-16H2,1-2H3,(H,27,29).

What are the key properties of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 448.97 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 45183538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).