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

C19H23F3N4O — CID 146316950

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

3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide (PubChem CID 146316950) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
• PubChem CID: 146316950
• Molecular Formula: C19H23F3N4O
• Molecular Weight: 380.41 g/mol
• Exact Mass: 380.18
• IUPAC Name: 3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
• SMILES: C[C@H]1C[C@@H](NC(=O)CCN)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
• InChI: InChI=1S/C19H23F3N4O/c1-12-9-13(25-17(27)6-7-23)11-26(10-12)16-5-4-15(19(20,21)22)18-14(16)3-2-8-24-18/h2-5,8,12-13H,6-7,9-11,23H2,1H3,(H,25,27)/t12-,13+/m0/s1
• InChIKey: PAYWRIIZISAJNN-QWHCGFSZSA-N
• XLogP: 2.93
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• 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-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide?

The IUPAC name of 3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide (CID 146316950) is 3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide.

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

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

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

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

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

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

Where does this data come from?

All data for 3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 146316950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).