1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone

C15H21BrN2O — CID 43227315

IUPAC1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
SMILESCN1CCC(N(C)CC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-17-8-6-14(7-9-17)18(2)11-15(19)12-4-3-5-13(16)10-12/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyGUYHYCYQQZOEIK-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.66
Rot. Bonds4

About 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone

1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone (PubChem CID 43227315) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
PubChem CID43227315
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
SMILESCN1CCC(N(C)CC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-17-8-6-14(7-9-17)18(2)11-15(19)12-4-3-5-13(16)10-12/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyGUYHYCYQQZOEIK-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227335
1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 62031890
1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632948
1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319803
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974
1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 55256902
1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79313470
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
1-(4-bromophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]butan-1-one
CID 43229281

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone (CID 43227315) is 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone is CN1CCC(N(C)CC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone?
The InChIKey is GUYHYCYQQZOEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-17-8-6-14(7-9-17)18(2)11-15(19)12-4-3-5-13(16)10-12/h3-5,10,14H,6-9,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone?
1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone has a molecular weight of 325.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone is sourced from PubChem (CID 43227315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).