N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

C20H24BrN3O4 — CID 23991152

IUPACN-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H24BrN3O4/c1-26-17-12-16(13-18(27-2)19(17)28-3)23-7-9-24(10-8-23)20(25)22-15-6-4-5-14(21)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,22,25)
InChIKeyFWOXFCRQERIZNF-UHFFFAOYSA-N
MW450.33 g/mol
LogP3.83
Rot. Bonds5

About N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 23991152) has the molecular formula C20H24BrN3O4 and a molecular weight of 450.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
PubChem CID23991152
Molecular FormulaC20H24BrN3O4
Molecular Weight450.33 g/mol
Exact Mass449.10
IUPAC NameN-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H24BrN3O4/c1-26-17-12-16(13-18(27-2)19(17)28-3)23-7-9-24(10-8-23)20(25)22-15-6-4-5-14(21)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,22,25)
InChIKeyFWOXFCRQERIZNF-UHFFFAOYSA-N
XLogP3.83
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-tert-butyl-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113110457
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
4-(2-cyanophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3821127
N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3445591
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736
4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69241684
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 122343655

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (CID 23991152) is N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc(OC)c1OC.
What is the InChIKey of N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is FWOXFCRQERIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O4/c1-26-17-12-16(13-18(27-2)19(17)28-3)23-7-9-24(10-8-23)20(25)22-15-6-4-5-14(21)11-15/h4-6,11-13H,7-10H2,1-3H3,(H,22,25).
What are the key properties of N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 450.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 23991152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).