3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide

C19H23ClFN5O2 — CID 122253619

About 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide

3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide (PubChem CID 122253619) has the molecular formula C19H23ClFN5O2 and a molecular weight of 407.88 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
• PubChem CID: 122253619
• Molecular Formula: C19H23ClFN5O2
• Molecular Weight: 407.88 g/mol
• Exact Mass: 407.15
• IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
• SMILES: COc1nc(CNC(=O)CCc2ccc(F)c(Cl)c2)nc(N2CCCCC2)n1
• InChI: InChI=1S/C19H23ClFN5O2/c1-28-19-24-16(23-18(25-19)26-9-3-2-4-10-26)12-22-17(27)8-6-13-5-7-15(21)14(20)11-13/h5,7,11H,2-4,6,8-10,12H2,1H3,(H,22,27)
• InChIKey: KKAOFFBXIJAZKP-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.88
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?

The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide (CID 122253619) is 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide.

What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?

The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide is COc1nc(CNC(=O)CCc2ccc(F)c(Cl)c2)nc(N2CCCCC2)n1.

What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?

The InChIKey is KKAOFFBXIJAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN5O2/c1-28-19-24-16(23-18(25-19)26-9-3-2-4-10-26)12-22-17(27)8-6-13-5-7-15(21)14(20)11-13/h5,7,11H,2-4,6,8-10,12H2,1H3,(H,22,27).

What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?

3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide has a molecular weight of 407.88 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide is sourced from PubChem (CID 122253619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).