ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate

C21H31N3O3 — CID 26553594

About ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate

ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate (PubChem CID 26553594) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate
• PubChem CID: 26553594
• Molecular Formula: C21H31N3O3
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.24
• IUPAC Name: ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate
• SMILES: CCOC(=O)N1CCN(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1
• InChI: InChI=1S/C21H31N3O3/c1-3-27-21(26)24-12-10-23(11-13-24)15-20(25)22-16(2)18-9-8-17-6-4-5-7-19(17)14-18/h8-9,14,16H,3-7,10-13,15H2,1-2H3,(H,22,25)/t16-/m1/s1
• InChIKey: GZDIDVAHSVPLHZ-MRXNPFEDSA-N
• XLogP: 2.52
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate?

The IUPAC name of ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate (CID 26553594) is ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate.

What is the SMILES notation for ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate?

The canonical SMILES for ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1.

What is the InChIKey of ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate?

The InChIKey is GZDIDVAHSVPLHZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-27-21(26)24-12-10-23(11-13-24)15-20(25)22-16(2)18-9-8-17-6-4-5-7-19(17)14-18/h8-9,14,16H,3-7,10-13,15H2,1-2H3,(H,22,25)/t16-/m1/s1.

What are the key properties of ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate?

ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 26553594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).