1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide

C25H26BrFN2O — CID 167975349

IUPAC1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(Cc3cccc4c(Br)cccc34)CC2)cc1F
InChIInChI=1S/C25H26BrFN2O/c1-17-8-9-18(14-24(17)27)15-28-25(30)19-10-12-29(13-11-19)16-20-4-2-6-22-21(20)5-3-7-23(22)26/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,30)
InChIKeyUUAWWAGEBFIPFP-UHFFFAOYSA-N
MW469.40 g/mol
LogP5.58
Rot. Bonds5

About 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide

1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 167975349) has the molecular formula C25H26BrFN2O and a molecular weight of 469.40 g/mol. Its IUPAC name is 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID167975349
Molecular FormulaC25H26BrFN2O
Molecular Weight469.40 g/mol
Exact Mass468.12
IUPAC Name1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(Cc3cccc4c(Br)cccc34)CC2)cc1F
InChIInChI=1S/C25H26BrFN2O/c1-17-8-9-18(14-24(17)27)15-28-25(30)19-10-12-29(13-11-19)16-20-4-2-6-22-21(20)5-3-7-23(22)26/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,30)
InChIKeyUUAWWAGEBFIPFP-UHFFFAOYSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.40
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-hydroxypentyl)piperidine-4-carboxamide
CID 110923817
N-[(3-fluoro-4-methylphenyl)methyl]-1-[[3-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 167749287
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(4-sulfamoylphenyl)acetyl]piperidine-4-carboxamide
CID 56553008
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
CID 124689641
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120750983
1-[(2R)-2-aminopropanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119287979
1-[(2-chlorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021309
1-[2-(4-chlorophenyl)sulfanylethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55738066

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide (CID 167975349) is 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(Cc3cccc4c(Br)cccc34)CC2)cc1F.
What is the InChIKey of 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UUAWWAGEBFIPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrFN2O/c1-17-8-9-18(14-24(17)27)15-28-25(30)19-10-12-29(13-11-19)16-20-4-2-6-22-21(20)5-3-7-23(22)26/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,30).
What are the key properties of 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide?
1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 469.40 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromonaphthalen-1-yl)methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 167975349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).