3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide

C19H23F3N4O — CID 156755881

About 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide

3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide (PubChem CID 156755881) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide.

Molecular Properties

• Compound Name: 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide
• PubChem CID: 156755881
• Molecular Formula: C19H23F3N4O
• Molecular Weight: 380.41 g/mol
• Exact Mass: 380.18
• IUPAC Name: 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide
• SMILES: C[C@H]1C[C@@H](NCCC(N)=O)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
• InChI: InChI=1S/C19H23F3N4O/c1-12-9-13(24-8-6-17(23)27)11-26(10-12)16-5-4-15(19(20,21)22)18-14(16)3-2-7-25-18/h2-5,7,12-13,24H,6,8-11H2,1H3,(H2,23,27)/t12-,13+/m0/s1
• InChIKey: FSESTVLPAGUCDX-QWHCGFSZSA-N
• XLogP: 2.93
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.41
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide?

The IUPAC name of 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide (CID 156755881) is 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide.

What is the SMILES notation for 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide?

The canonical SMILES for 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide is C[C@H]1C[C@@H](NCCC(N)=O)CN(c2ccc(C(F)(F)F)c3ncccc23)C1.

What is the InChIKey of 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide?

The InChIKey is FSESTVLPAGUCDX-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-12-9-13(24-8-6-17(23)27)11-26(10-12)16-5-4-15(19(20,21)22)18-14(16)3-2-7-25-18/h2-5,7,12-13,24H,6,8-11H2,1H3,(H2,23,27)/t12-,13+/m0/s1.

What are the key properties of 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide?

3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide has a molecular weight of 380.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide is sourced from PubChem (CID 156755881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).