4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide

C19H27N3O3 — CID 112974994

IUPAC4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NCCOc2cccc3c2CCCC3)CC1
InChIInChI=1S/C19H27N3O3/c1-15(23)21-10-12-22(13-11-21)19(24)20-9-14-25-18-8-4-6-16-5-2-3-7-17(16)18/h4,6,8H,2-3,5,7,9-14H2,1H3,(H,20,24)
InChIKeyWDBHCWSLYYBVBT-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.82
Rot. Bonds4

About 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide

4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide (PubChem CID 112974994) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
PubChem CID112974994
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NCCOc2cccc3c2CCCC3)CC1
InChIInChI=1S/C19H27N3O3/c1-15(23)21-10-12-22(13-11-21)19(24)20-9-14-25-18-8-4-6-16-5-2-3-7-17(16)18/h4,6,8H,2-3,5,7,9-14H2,1H3,(H,20,24)
InChIKeyWDBHCWSLYYBVBT-UHFFFAOYSA-N
XLogP1.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112975032
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
4-acetyl-N-[2-(2-ethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112971649
4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide
CID 112971029
1-(3-acetylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975078
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
2-(3-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]acetamide
CID 113101689
N-[2-(2-ethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112971635
N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112971026
N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]oxane-4-carboxamide
CID 113101698

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide (CID 112974994) is 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)NCCOc2cccc3c2CCCC3)CC1.
What is the InChIKey of 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide?
The InChIKey is WDBHCWSLYYBVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(23)21-10-12-22(13-11-21)19(24)20-9-14-25-18-8-4-6-16-5-2-3-7-17(16)18/h4,6,8H,2-3,5,7,9-14H2,1H3,(H,20,24).
What are the key properties of 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide?
4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 112974994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).