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

C14H18BrFN2O — CID 115870611

IUPACN-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O/c15-12-9-11(2-3-13(12)16)18-14(19)4-1-10-5-7-17-8-6-10/h2-3,9-10,17H,1,4-8H2,(H,18,19)
InChIKeyLBIJMIXZCQIQJK-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.31
Rot. Bonds4

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

N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide (PubChem CID 115870611) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
PubChem CID115870611
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O/c15-12-9-11(2-3-13(12)16)18-14(19)4-1-10-5-7-17-8-6-10/h2-3,9-10,17H,1,4-8H2,(H,18,19)
InChIKeyLBIJMIXZCQIQJK-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid
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N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
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N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 79758410
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
CID 62211363
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-[4-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210859
N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
CID 62210704
N-[3-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210707

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide (CID 115870611) is N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is LBIJMIXZCQIQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c15-12-9-11(2-3-13(12)16)18-14(19)4-1-10-5-7-17-8-6-10/h2-3,9-10,17H,1,4-8H2,(H,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide?
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 329.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 115870611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).