ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate

C20H29N3O4 — CID 112975032

IUPACethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCOc2cccc3c2CCCC3)CC1
InChIInChI=1S/C20H29N3O4/c1-2-26-20(25)23-13-11-22(12-14-23)19(24)21-10-15-27-18-9-5-7-16-6-3-4-8-17(16)18/h5,7,9H,2-4,6,8,10-15H2,1H3,(H,21,24)
InChIKeyPSMYDICULBESIE-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.43
Rot. Bonds5

About ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate

ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate (PubChem CID 112975032) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate
PubChem CID112975032
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Nameethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCCOc2cccc3c2CCCC3)CC1
InChIInChI=1S/C20H29N3O4/c1-2-26-20(25)23-13-11-22(12-14-23)19(24)21-10-15-27-18-9-5-7-16-6-3-4-8-17(16)18/h5,7,9H,2-4,6,8,10-15H2,1H3,(H,21,24)
InChIKeyPSMYDICULBESIE-UHFFFAOYSA-N
XLogP2.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112974994
4-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperidine-1-carboxamide
CID 112974982
4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112975037
N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 112975029
2-(3-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]acetamide
CID 113101689
ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112972060
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100723383
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922
N-[2-(2-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100663620
ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
CID 108892364
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
4-acetyl-N-[2-(2-ethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112971649

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate (CID 112975032) is ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NCCOc2cccc3c2CCCC3)CC1.
What is the InChIKey of ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate?
The InChIKey is PSMYDICULBESIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-2-26-20(25)23-13-11-22(12-14-23)19(24)21-10-15-27-18-9-5-7-16-6-3-4-8-17(16)18/h5,7,9H,2-4,6,8,10-15H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate?
ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 112975032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).