2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide

C15H21BrFN3O — CID 81298064

IUPAC2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide
SMILESCC(NC1CCN(CC(N)=O)CC1)c1cc(Br)ccc1F
InChIInChI=1S/C15H21BrFN3O/c1-10(13-8-11(16)2-3-14(13)17)19-12-4-6-20(7-5-12)9-15(18)21/h2-3,8,10,12,19H,4-7,9H2,1H3,(H2,18,21)
InChIKeyUDOOEEFOZRVFFY-UHFFFAOYSA-N
MW358.26 g/mol
LogP2.19
Rot. Bonds5

About 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide

2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide (PubChem CID 81298064) has the molecular formula C15H21BrFN3O and a molecular weight of 358.26 g/mol. Its IUPAC name is 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide
PubChem CID81298064
Molecular FormulaC15H21BrFN3O
Molecular Weight358.26 g/mol
Exact Mass357.09
IUPAC Name2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide
SMILESCC(NC1CCN(CC(N)=O)CC1)c1cc(Br)ccc1F
InChIInChI=1S/C15H21BrFN3O/c1-10(13-8-11(16)2-3-14(13)17)19-12-4-6-20(7-5-12)9-15(18)21/h2-3,8,10,12,19H,4-7,9H2,1H3,(H2,18,21)
InChIKeyUDOOEEFOZRVFFY-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 82961576
tert-butyl 3-[1-(5-bromo-2-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239382
2-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]piperidin-1-yl]acetamide
CID 103776848
2-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]acetamide
CID 43746847
2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide
CID 81297527
3-[1-(5-bromo-2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 82974002
2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 30776260
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
2-[4-(4-bromo-2-cyanoanilino)piperidin-1-yl]acetamide
CID 75454004
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850032
2-[4-[1-(1,3-thiazol-5-yl)ethylamino]piperidin-1-yl]acetamide
CID 113260068
ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
CID 60998047

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide (CID 81298064) is 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide is CC(NC1CCN(CC(N)=O)CC1)c1cc(Br)ccc1F.
What is the InChIKey of 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide?
The InChIKey is UDOOEEFOZRVFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3O/c1-10(13-8-11(16)2-3-14(13)17)19-12-4-6-20(7-5-12)9-15(18)21/h2-3,8,10,12,19H,4-7,9H2,1H3,(H2,18,21).
What are the key properties of 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide?
2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide has a molecular weight of 358.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 81298064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).