2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone

C15H21BrN2O — CID 109006570

IUPAC2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(NCC(=O)N2CCCC(C)C2)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-4-3-7-18(10-11)15(19)9-17-13-5-6-14(16)12(2)8-13/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeyWJWCQFRPABXLAC-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone

2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 109006570) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID109006570
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(NCC(=O)N2CCCC(C)C2)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-11-4-3-7-18(10-11)15(19)9-17-13-5-6-14(16)12(2)8-13/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeyWJWCQFRPABXLAC-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
CID 47123026
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
2-(3,5-dimethoxyanilino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51726355
2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006563
N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113178178
[2-(4-bromo-3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312841
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylanilino)ethanone
CID 107573726
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 134020158
2,4-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995675
2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840480

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone (CID 109006570) is 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone is Cc1cc(NCC(=O)N2CCCC(C)C2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is WJWCQFRPABXLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-4-3-7-18(10-11)15(19)9-17-13-5-6-14(16)12(2)8-13/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone?
2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 325.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 109006570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).