[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone

C22H26BrN3O — CID 55584860

IUPAC[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H26BrN3O/c1-16-20(9-10-21(24-16)17-5-4-6-18(23)15-17)22(27)26-13-11-25(12-14-26)19-7-2-3-8-19/h4-6,9-10,15,19H,2-3,7-8,11-14H2,1H3
InChIKeyVYABUISDWFLUGV-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.52
Rot. Bonds3

About [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone

[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 55584860) has the molecular formula C22H26BrN3O and a molecular weight of 428.37 g/mol. Its IUPAC name is [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID55584860
Molecular FormulaC22H26BrN3O
Molecular Weight428.37 g/mol
Exact Mass427.13
IUPAC Name[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H26BrN3O/c1-16-20(9-10-21(24-16)17-5-4-6-18(23)15-17)22(27)26-13-11-25(12-14-26)19-7-2-3-8-19/h4-6,9-10,15,19H,2-3,7-8,11-14H2,1H3
InChIKeyVYABUISDWFLUGV-UHFFFAOYSA-N
XLogP4.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46434956
[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55860227
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
N-[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 86964115
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
2-[4-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300685
1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 55800119
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone (CID 55584860) is [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is VYABUISDWFLUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O/c1-16-20(9-10-21(24-16)17-5-4-6-18(23)15-17)22(27)26-13-11-25(12-14-26)19-7-2-3-8-19/h4-6,9-10,15,19H,2-3,7-8,11-14H2,1H3.
What are the key properties of [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone?
[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 428.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 55584860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).