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

C14H19BrN2O — CID 62031890

IUPAC1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
SMILESCN(CC(=O)c1cccc(Br)c1)C1CCNCC1
InChIInChI=1S/C14H19BrN2O/c1-17(13-5-7-16-8-6-13)10-14(18)11-3-2-4-12(15)9-11/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyJPTOPQKBMUFRSV-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.32
Rot. Bonds4

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

1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone (PubChem CID 62031890) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
PubChem CID62031890
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
SMILESCN(CC(=O)c1cccc(Br)c1)C1CCNCC1
InChIInChI=1S/C14H19BrN2O/c1-17(13-5-7-16-8-6-13)10-14(18)11-3-2-4-12(15)9-11/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyJPTOPQKBMUFRSV-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227315
1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632948
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794974
2-[azepan-4-yl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 104979514
1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 55256902
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
2-[methyl(piperidin-4-yl)amino]-1-thiophen-2-ylethanone
CID 62030561
1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
CID 54999992
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone (CID 62031890) is 1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone is CN(CC(=O)c1cccc(Br)c1)C1CCNCC1.
What is the InChIKey of 1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone?
The InChIKey is JPTOPQKBMUFRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17(13-5-7-16-8-6-13)10-14(18)11-3-2-4-12(15)9-11/h2-4,9,13,16H,5-8,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone?
1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone has a molecular weight of 311.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone is sourced from PubChem (CID 62031890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).