N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C25H30FN3O3 — CID 55958004

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 55958004) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
• PubChem CID: 55958004
• Molecular Formula: C25H30FN3O3
• Molecular Weight: 439.53 g/mol
• Exact Mass: 439.23
• IUPAC Name: N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
• SMILES: COc1ccc(CN2CCC(NC(=O)CCC3Cc4ccccc4NC3=O)CC2)cc1F
• InChI: InChI=1S/C25H30FN3O3/c1-32-23-8-6-17(14-21(23)26)16-29-12-10-20(11-13-29)27-24(30)9-7-19-15-18-4-2-3-5-22(18)28-25(19)31/h2-6,8,14,19-20H,7,9-13,15-16H2,1H3,(H,27,30)(H,28,31)
• InChIKey: UAPJLCFUGXKXQE-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.53
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 55958004) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is COc1ccc(CN2CCC(NC(=O)CCC3Cc4ccccc4NC3=O)CC2)cc1F.

What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

The InChIKey is UAPJLCFUGXKXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-32-23-8-6-17(14-21(23)26)16-29-12-10-20(11-13-29)27-24(30)9-7-19-15-18-4-2-3-5-22(18)28-25(19)31/h2-6,8,14,19-20H,7,9-13,15-16H2,1H3,(H,27,30)(H,28,31).

What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 439.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 55958004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).