3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one

C18H19BrN2O2 — CID 110243258

IUPAC3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCNC(Cc2ccccc2Br)C1=O
InChIInChI=1S/C18H19BrN2O2/c1-23-17-9-5-4-8-16(17)21-11-10-20-15(18(21)22)12-13-6-2-3-7-14(13)19/h2-9,15,20H,10-12H2,1H3
InChIKeyYNPHEWZBILGPMO-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.01
Rot. Bonds4

About 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one

3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one (PubChem CID 110243258) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
PubChem CID110243258
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCNC(Cc2ccccc2Br)C1=O
InChIInChI=1S/C18H19BrN2O2/c1-23-17-9-5-4-8-16(17)21-11-10-20-15(18(21)22)12-13-6-2-3-7-14(13)19/h2-9,15,20H,10-12H2,1H3
InChIKeyYNPHEWZBILGPMO-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The IUPAC name of 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one (CID 110243258) is 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one is COc1ccccc1N1CCNC(Cc2ccccc2Br)C1=O.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The InChIKey is YNPHEWZBILGPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-23-17-9-5-4-8-16(17)21-11-10-20-15(18(21)22)12-13-6-2-3-7-14(13)19/h2-9,15,20H,10-12H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one has a molecular weight of 375.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 110243258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).