(2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone

C22H21BrN4O — CID 35373575

IUPAC(2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Nc1ccccc1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C22H21BrN4O/c23-17-10-11-21(24-16-17)26-12-14-27(15-13-26)22(28)19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-11,16,25H,12-15H2
InChIKeyLTYFBGMKZYNFMY-UHFFFAOYSA-N
MW437.34 g/mol
LogP4.55
Rot. Bonds4

About (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone

(2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 35373575) has the molecular formula C22H21BrN4O and a molecular weight of 437.34 g/mol. Its IUPAC name is (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID35373575
Molecular FormulaC22H21BrN4O
Molecular Weight437.34 g/mol
Exact Mass436.09
IUPAC Name(2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Nc1ccccc1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C22H21BrN4O/c23-17-10-11-21(24-16-17)26-12-14-27(15-13-26)22(28)19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-11,16,25H,12-15H2
InChIKeyLTYFBGMKZYNFMY-UHFFFAOYSA-N
XLogP4.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119946518
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
(2-anilinophenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90517050
(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 27259352
6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971605
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
(5-amino-2-methylphenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641996
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55656681
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46399270
[3,5-bis(trifluoromethyl)phenyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 55656561

Frequently Asked Questions

What is the IUPAC name of (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone (CID 35373575) is (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone is O=C(c1ccccc1Nc1ccccc1)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is LTYFBGMKZYNFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O/c23-17-10-11-21(24-16-17)26-12-14-27(15-13-26)22(28)19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-11,16,25H,12-15H2.
What are the key properties of (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone?
(2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 437.34 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35373575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).