N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

C19H22BrN3O2 — CID 1452067

IUPACN-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-4-2-3-17(13-18)23-11-9-22(10-12-23)14-19(24)21-16-7-5-15(20)6-8-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyYAPIHLRADSIWEG-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.22
Rot. Bonds5

About N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 1452067) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID1452067
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C19H22BrN3O2/c1-25-18-4-2-3-17(13-18)23-11-9-22(10-12-23)14-19(24)21-16-7-5-15(20)6-8-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyYAPIHLRADSIWEG-UHFFFAOYSA-N
XLogP3.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (CID 1452067) is N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is COc1cccc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is YAPIHLRADSIWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-25-18-4-2-3-17(13-18)23-11-9-22(10-12-23)14-19(24)21-16-7-5-15(20)6-8-16/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 404.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1452067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).