(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone

C20H24BrN3O — CID 58484748

IUPAC(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cc(Br)ccc1C(=O)N1CCN(c2nc(C)c(C)cc2C)CC1
InChIInChI=1S/C20H24BrN3O/c1-13-11-15(3)19(22-16(13)4)23-7-9-24(10-8-23)20(25)18-6-5-17(21)12-14(18)2/h5-6,11-12H,7-10H2,1-4H3
InChIKeyNTBBTCWOCBPHCL-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.04
Rot. Bonds2

About (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone

(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 58484748) has the molecular formula C20H24BrN3O and a molecular weight of 402.34 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID58484748
Molecular FormulaC20H24BrN3O
Molecular Weight402.34 g/mol
Exact Mass401.11
IUPAC Name(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cc(Br)ccc1C(=O)N1CCN(c2nc(C)c(C)cc2C)CC1
InChIInChI=1S/C20H24BrN3O/c1-13-11-15(3)19(22-16(13)4)23-7-9-24(10-8-23)20(25)18-6-5-17(21)12-14(18)2/h5-6,11-12H,7-10H2,1-4H3
InChIKeyNTBBTCWOCBPHCL-UHFFFAOYSA-N
XLogP4.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

5-methyl-5-[3-methyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494886
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489
(4-bromo-2-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 56826294
(4-bromo-2-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 172648533
(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43630038
(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134494842
1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 71252145
1-[4-(4-bromo-2-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905435
(4-bromo-2-nitrophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484547
3-methyl-4-[4-(3-methylpyrazin-2-yl)piperazine-1-carbonyl]benzoic acid
CID 154845518
[2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 71252952
1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one
CID 150604099

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone (CID 58484748) is (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1cc(Br)ccc1C(=O)N1CCN(c2nc(C)c(C)cc2C)CC1.
What is the InChIKey of (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is NTBBTCWOCBPHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O/c1-13-11-15(3)19(22-16(13)4)23-7-9-24(10-8-23)20(25)18-6-5-17(21)12-14(18)2/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone?
(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 402.34 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 58484748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).