N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C22H26BrN3O4 — CID 20934292

IUPACN-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C22H26BrN3O4/c1-29-19-8-5-17(13-20(19)30-2)22(28)26(14-16-3-6-18(23)7-4-16)15-21(27)25-11-9-24-10-12-25/h3-8,13,24H,9-12,14-15H2,1-2H3
InChIKeyNXLIZIOHQNFXCI-UHFFFAOYSA-N
MW476.37 g/mol
LogP2.54
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 20934292) has the molecular formula C22H26BrN3O4 and a molecular weight of 476.37 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID20934292
Molecular FormulaC22H26BrN3O4
Molecular Weight476.37 g/mol
Exact Mass475.11
IUPAC NameN-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C22H26BrN3O4/c1-29-19-8-5-17(13-20(19)30-2)22(28)26(14-16-3-6-18(23)7-4-16)15-21(27)25-11-9-24-10-12-25/h3-8,13,24H,9-12,14-15H2,1-2H3
InChIKeyNXLIZIOHQNFXCI-UHFFFAOYSA-N
XLogP2.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058513
4-bromo-N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779515
3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide
CID 50779264
3-bromo-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333110
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058528
4-bromo-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779430
N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779422
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
4-bromo-N-(3-methoxypropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779713
4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454862
N-[(4-bromophenyl)methyl]-4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788500
3-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058449

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 20934292) is N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is COc1ccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccc(Br)cc2)cc1OC.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is NXLIZIOHQNFXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O4/c1-29-19-8-5-17(13-20(19)30-2)22(28)26(14-16-3-6-18(23)7-4-16)15-21(27)25-11-9-24-10-12-25/h3-8,13,24H,9-12,14-15H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 476.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 20934292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).