ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate

C19H22N2O4 — CID 846270

IUPACethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H22N2O4/c1-2-24-19(23)21-11-9-20(10-12-21)18(22)14-25-17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13H,2,9-12,14H2,1H3
InChIKeyPUIFNVKVHZDTMH-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.52
Rot. Bonds4

About ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate

ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate (PubChem CID 846270) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
PubChem CID846270
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Nameethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H22N2O4/c1-2-24-19(23)21-11-9-20(10-12-21)18(22)14-25-17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13H,2,9-12,14H2,1H3
InChIKeyPUIFNVKVHZDTMH-UHFFFAOYSA-N
XLogP2.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate
CID 51088119
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 127032087
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
benzyl 4-[2-(3,4-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568813
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
CID 10238336

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate (CID 846270) is ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate?
The InChIKey is PUIFNVKVHZDTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-24-19(23)21-11-9-20(10-12-21)18(22)14-25-17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate?
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 846270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).