ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate

C19H32N4O2S — CID 51633658

About ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 51633658) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
• PubChem CID: 51633658
• Molecular Formula: C19H32N4O2S
• Molecular Weight: 380.56 g/mol
• Exact Mass: 380.22
• IUPAC Name: ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
• SMILES: CCOC(=O)N1CCN([C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)CC1
• InChI: InChI=1S/C19H32N4O2S/c1-4-25-19(24)23-10-8-22(9-11-23)16-6-5-7-21(12-16)13-18-20-17(14-26-18)15(2)3/h14-16H,4-13H2,1-3H3/t16-/m0/s1
• InChIKey: FSUZEJRNQQMPLN-INIZCTEOSA-N
• XLogP: 3.01
• TPSA: 48.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.56
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate?

The IUPAC name of ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate (CID 51633658) is ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate.

What is the SMILES notation for ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate?

The canonical SMILES for ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)CC1.

What is the InChIKey of ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate?

The InChIKey is FSUZEJRNQQMPLN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-4-25-19(24)23-10-8-22(9-11-23)16-6-5-7-21(12-16)13-18-20-17(14-26-18)15(2)3/h14-16H,4-13H2,1-3H3/t16-/m0/s1.

What are the key properties of ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate?

ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 380.56 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 51633658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).