N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide

C15H20BrFN2O — CID 83032094

IUPACN-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Br)c(F)c1)C1CCCNC1
InChIInChI=1S/C15H20BrFN2O/c1-15(2,10-4-3-7-18-9-10)14(20)19-11-5-6-12(16)13(17)8-11/h5-6,8,10,18H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyBXSYKYKXXYNIJZ-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.55
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide

N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83032094) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83032094
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Br)c(F)c1)C1CCCNC1
InChIInChI=1S/C15H20BrFN2O/c1-15(2,10-4-3-7-18-9-10)14(20)19-11-5-6-12(16)13(17)8-11/h5-6,8,10,18H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyBXSYKYKXXYNIJZ-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyano-4-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199187
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
N-(6-bromo-3-pyridinyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 103885084
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199456
N-(5-bromo-2-chlorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83200174
2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide
CID 83031621
3-(4-bromo-3-fluoroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821308
1-(3-bromo-4-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611174
N-(2-methoxy-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198711
N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034283

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide (CID 83032094) is N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide is CC(C)(C(=O)Nc1ccc(Br)c(F)c1)C1CCCNC1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is BXSYKYKXXYNIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-15(2,10-4-3-7-18-9-10)14(20)19-11-5-6-12(16)13(17)8-11/h5-6,8,10,18H,3-4,7,9H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 343.24 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83032094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).