5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one

C24H28BrNO3 — CID 55791274

IUPAC5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCCCc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C24H28BrNO3/c1-29-22-12-8-19(9-13-22)24(28)20-14-16-26(17-15-20)23(27)5-3-2-4-18-6-10-21(25)11-7-18/h6-13,20H,2-5,14-17H2,1H3
InChIKeyRBSVNZBKMAKOPZ-UHFFFAOYSA-N
MW458.40 g/mol
LogP5.29
Rot. Bonds8

About 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one

5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one (PubChem CID 55791274) has the molecular formula C24H28BrNO3 and a molecular weight of 458.40 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
PubChem CID55791274
Molecular FormulaC24H28BrNO3
Molecular Weight458.40 g/mol
Exact Mass457.13
IUPAC Name5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCCCc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C24H28BrNO3/c1-29-22-12-8-19(9-13-22)24(28)20-14-16-26(17-15-20)23(27)5-3-2-4-18-6-10-21(25)11-7-18/h6-13,20H,2-5,14-17H2,1H3
InChIKeyRBSVNZBKMAKOPZ-UHFFFAOYSA-N
XLogP5.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-5-(2H-triazol-4-yl)pentan-1-one
CID 75455687
[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate
CID 130193111
6-(4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119544131
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 25474842
3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 51324275
(3R)-1-[5-(4-bromophenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124700041
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one (CID 55791274) is 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one is COc1ccc(C(=O)C2CCN(C(=O)CCCCc3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one?
The InChIKey is RBSVNZBKMAKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrNO3/c1-29-22-12-8-19(9-13-22)24(28)20-14-16-26(17-15-20)23(27)5-3-2-4-18-6-10-21(25)11-7-18/h6-13,20H,2-5,14-17H2,1H3.
What are the key properties of 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one?
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one has a molecular weight of 458.40 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 55791274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).