methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate

C25H24BrNO4 — CID 55776250

IUPACmethyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C25H24BrNO4/c1-30-24(29)25(20-5-3-2-4-6-20)11-13-27(14-12-25)23(28)17-31-22-10-8-18-15-21(26)9-7-19(18)16-22/h2-10,15-16H,11-14,17H2,1H3
InChIKeyZDUJDGKMYPHCKX-UHFFFAOYSA-N
MW482.37 g/mol
LogP4.71
Rot. Bonds5

About methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate

methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 55776250) has the molecular formula C25H24BrNO4 and a molecular weight of 482.37 g/mol. Its IUPAC name is methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate
PubChem CID55776250
Molecular FormulaC25H24BrNO4
Molecular Weight482.37 g/mol
Exact Mass481.09
IUPAC Namemethyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C25H24BrNO4/c1-30-24(29)25(20-5-3-2-4-6-20)11-13-27(14-12-25)23(28)17-31-22-10-8-18-15-21(26)9-7-19(18)16-22/h2-10,15-16H,11-14,17H2,1H3
InChIKeyZDUJDGKMYPHCKX-UHFFFAOYSA-N
XLogP4.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 51142094
1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256117
1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258071
methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
CID 89448912
methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
CID 78838423
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119519137
4-[2-(6-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxylic acid
CID 119238762
1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1357381
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119411617
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
2-(4-bromophenoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406764

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate (CID 55776250) is methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate is COC(=O)C1(c2ccccc2)CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1.
What is the InChIKey of methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is ZDUJDGKMYPHCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrNO4/c1-30-24(29)25(20-5-3-2-4-6-20)11-13-27(14-12-25)23(28)17-31-22-10-8-18-15-21(26)9-7-19(18)16-22/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate?
methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 482.37 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 55776250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).