1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C24H29BrN2O2 — CID 11656656

IUPAC1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)C2CCCc3c(Br)cccc32)CC1
InChIInChI=1S/C24H29BrN2O2/c1-29-24-11-3-2-10-22(24)27-16-14-26(15-17-27)13-12-23(28)20-8-4-7-19-18(20)6-5-9-21(19)25/h2-3,5-6,9-11,20H,4,7-8,12-17H2,1H3
InChIKeyFLOYIUVWFRJXQI-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.66
Rot. Bonds6

About 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 11656656) has the molecular formula C24H29BrN2O2 and a molecular weight of 457.41 g/mol. Its IUPAC name is 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID11656656
Molecular FormulaC24H29BrN2O2
Molecular Weight457.41 g/mol
Exact Mass456.14
IUPAC Name1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)C2CCCc3c(Br)cccc32)CC1
InChIInChI=1S/C24H29BrN2O2/c1-29-24-11-3-2-10-22(24)27-16-14-26(15-17-27)13-12-23(28)20-8-4-7-19-18(20)6-5-9-21(19)25/h2-3,5-6,9-11,20H,4,7-8,12-17H2,1H3
InChIKeyFLOYIUVWFRJXQI-UHFFFAOYSA-N
XLogP4.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 11656656) is 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(CCC(=O)C2CCCc3c(Br)cccc32)CC1.
What is the InChIKey of 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is FLOYIUVWFRJXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O2/c1-29-24-11-3-2-10-22(24)27-16-14-26(15-17-27)13-12-23(28)20-8-4-7-19-18(20)6-5-9-21(19)25/h2-3,5-6,9-11,20H,4,7-8,12-17H2,1H3.
What are the key properties of 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 457.41 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 11656656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).