N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C22H35N7O4S — CID 41105348

About N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 41105348) has the molecular formula C22H35N7O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

• Compound Name: N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
• PubChem CID: 41105348
• Molecular Formula: C22H35N7O4S
• Molecular Weight: 493.63 g/mol
• Exact Mass: 493.25
• IUPAC Name: N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
• SMILES: C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)C1
• InChI: InChI=1S/C22H35N7O4S/c1-16-11-17(2)13-29(12-16)19(30)14-26-3-5-27(6-4-26)21(32)25-24-20(31)18-15-34-22(23-18)28-7-9-33-10-8-28/h15-17H,3-14H2,1-2H3,(H,24,31)(H,25,32)/t16-,17-/m1/s1
• InChIKey: DSJACRHYROWYGQ-IAGOWNOFSA-N
• XLogP: 0.46
• TPSA: 110.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.63
LogP ≤ 5	0.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?

The IUPAC name of N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 41105348) is N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

What is the SMILES notation for N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?

The canonical SMILES for N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)C1.

What is the InChIKey of N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?

The InChIKey is DSJACRHYROWYGQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H35N7O4S/c1-16-11-17(2)13-29(12-16)19(30)14-26-3-5-27(6-4-26)21(32)25-24-20(31)18-15-34-22(23-18)28-7-9-33-10-8-28/h15-17H,3-14H2,1-2H3,(H,24,31)(H,25,32)/t16-,17-/m1/s1.

What are the key properties of N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?

N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 493.63 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 41105348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).