N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide

C24H32N4O3S — CID 40847227

About N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide

N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 40847227) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
• PubChem CID: 40847227
• Molecular Formula: C24H32N4O3S
• Molecular Weight: 456.61 g/mol
• Exact Mass: 456.22
• IUPAC Name: N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
• SMILES: C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)C1
• InChI: InChI=1S/C24H32N4O3S/c1-16-11-17(2)15-28(14-16)23(31)18-7-6-8-19(12-18)25-21(29)13-20-22(30)26-24(32-20)27-9-4-3-5-10-27/h6-8,12,16-17,20H,3-5,9-11,13-15H2,1-2H3,(H,25,29)/t16-,17-,20-/m1/s1
• InChIKey: IOMSCYBVXGWVKX-MBOZVWFJSA-N
• XLogP: 3.62
• TPSA: 82.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.61
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?

The IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide (CID 40847227) is N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide.

What is the SMILES notation for N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?

The canonical SMILES for N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide is C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(NC(=O)C[C@H]3SC(N4CCCCC4)=NC3=O)c2)C1.

What is the InChIKey of N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?

The InChIKey is IOMSCYBVXGWVKX-MBOZVWFJSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-16-11-17(2)15-28(14-16)23(31)18-7-6-8-19(12-18)25-21(29)13-20-22(30)26-24(32-20)27-9-4-3-5-10-27/h6-8,12,16-17,20H,3-5,9-11,13-15H2,1-2H3,(H,25,29)/t16-,17-,20-/m1/s1.

What are the key properties of N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?

N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 456.61 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 40847227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).