(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C21H23BrN2O2 — CID 4807090

IUPAC(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H23BrN2O2/c1-26-18-9-10-20(22)19(16-18)21(25)24-14-12-23(13-15-24)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3
InChIKeyCAMOGIGNQQWASL-UHFFFAOYSA-N
MW415.33 g/mol
LogP3.93
Rot. Bonds5

About (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 4807090) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID4807090
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H23BrN2O2/c1-26-18-9-10-20(22)19(16-18)21(25)24-14-12-23(13-15-24)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3
InChIKeyCAMOGIGNQQWASL-UHFFFAOYSA-N
XLogP3.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(2-bromo-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55885511
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
2-amino-1-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 66953172
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46684611
[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76869145
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
(3-hydroxy-4-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 168948492
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6105008
[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4023539

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 4807090) is (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is COc1ccc(Br)c(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is CAMOGIGNQQWASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-26-18-9-10-20(22)19(16-18)21(25)24-14-12-23(13-15-24)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 415.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4807090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).