1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one

C21H30N2O3S — CID 70344201

About 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 70344201) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 70344201
• Molecular Formula: C21H30N2O3S
• Molecular Weight: 390.55 g/mol
• Exact Mass: 390.20
• IUPAC Name: 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
• SMILES: CC[C@H](O)[C@@H]1CSCN1C(=O)C1CCCCN1C(=O)CCc1ccccc1
• InChI: InChI=1S/C21H30N2O3S/c1-2-19(24)18-14-27-15-23(18)21(26)17-10-6-7-13-22(17)20(25)12-11-16-8-4-3-5-9-16/h3-5,8-9,17-19,24H,2,6-7,10-15H2,1H3/t17?,18-,19-/m0/s1
• InChIKey: HQBYVIPLZYNQQM-MNNMKWMVSA-N
• XLogP: 2.67
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.55
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one?

The IUPAC name of 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 70344201) is 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one.

What is the SMILES notation for 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one?

The canonical SMILES for 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one is CC[C@H](O)[C@@H]1CSCN1C(=O)C1CCCCN1C(=O)CCc1ccccc1.

What is the InChIKey of 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one?

The InChIKey is HQBYVIPLZYNQQM-MNNMKWMVSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-2-19(24)18-14-27-15-23(18)21(26)17-10-6-7-13-22(17)20(25)12-11-16-8-4-3-5-9-16/h3-5,8-9,17-19,24H,2,6-7,10-15H2,1H3/t17?,18-,19-/m0/s1.

What are the key properties of 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one?

1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 390.55 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(4R)-4-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 70344201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).