N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

C20H22BrN3O2 — CID 108908901

IUPACN-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)N/C=C/c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H22BrN3O2/c1-26-19-5-3-2-4-18(19)23-12-14-24(15-13-23)20(25)22-11-10-16-6-8-17(21)9-7-16/h2-11H,12-15H2,1H3,(H,22,25)/b11-10+
InChIKeyDNVDAOMIIMBTBB-ZHACJKMWSA-N
MW416.32 g/mol
LogP3.96
Rot. Bonds4

About N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 108908901) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID108908901
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC NameN-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)N/C=C/c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H22BrN3O2/c1-26-19-5-3-2-4-18(19)23-12-14-24(15-13-23)20(25)22-11-10-16-6-8-17(21)9-7-16/h2-11H,12-15H2,1H3,(H,22,25)/b11-10+
InChIKeyDNVDAOMIIMBTBB-ZHACJKMWSA-N
XLogP3.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide 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-[(E)-2-(2-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108905179
N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108911493
4-(2,3-dimethylphenyl)-N-[(E)-2-(4-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108907825
4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903368
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 78874638
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
3-(4-tert-butylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 3260557
N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108898943
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905964

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 108908901) is N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)N/C=C/c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is DNVDAOMIIMBTBB-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-26-19-5-3-2-4-18(19)23-12-14-24(15-13-23)20(25)22-11-10-16-6-8-17(21)9-7-16/h2-11H,12-15H2,1H3,(H,22,25)/b11-10+.
What are the key properties of N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 416.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108908901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).