1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone

C18H19BrN2O3 — CID 51142094

IUPAC1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)20-6-8-21(9-7-20)18(23)12-24-17-5-3-14-10-16(19)4-2-15(14)11-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyCRJWTUQMVHQQPX-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone

1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone (PubChem CID 51142094) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
PubChem CID51142094
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)20-6-8-21(9-7-20)18(23)12-24-17-5-3-14-10-16(19)4-2-15(14)11-17/h2-5,10-11H,6-9,12H2,1H3
InChIKeyCRJWTUQMVHQQPX-UHFFFAOYSA-N
XLogP2.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119519137
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119411617
1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256117
1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1357381
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate
CID 55776250
1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258071
2-(6-bromonaphthalen-2-yl)oxy-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 55733510
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid
CID 119238762
1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone
CID 78767794
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone (CID 51142094) is 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone is CC(=O)N1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone?
The InChIKey is CRJWTUQMVHQQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-13(22)20-6-8-21(9-7-20)18(23)12-24-17-5-3-14-10-16(19)4-2-15(14)11-17/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone?
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone has a molecular weight of 391.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone is sourced from PubChem (CID 51142094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).