N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

C20H22BrFN2O2 — CID 38095881

IUPACN-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)c1
InChIInChI=1S/C20H22BrFN2O2/c1-26-17-4-2-3-14(11-17)13-24-9-7-15(8-10-24)20(25)23-19-6-5-16(21)12-18(19)22/h2-6,11-12,15H,7-10,13H2,1H3,(H,23,25)
InChIKeyKWTYNHGPCZQIGG-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.45
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 38095881) has the molecular formula C20H22BrFN2O2 and a molecular weight of 421.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID38095881
Molecular FormulaC20H22BrFN2O2
Molecular Weight421.31 g/mol
Exact Mass420.08
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)c1
InChIInChI=1S/C20H22BrFN2O2/c1-26-17-4-2-3-14(11-17)13-24-9-7-15(8-10-24)20(25)23-19-6-5-16(21)12-18(19)22/h2-6,11-12,15H,7-10,13H2,1H3,(H,23,25)
InChIKeyKWTYNHGPCZQIGG-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43923139
1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 38095087
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[(3-methoxyphenyl)methyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 43922515
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921688
1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 43925035
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921809
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 38095881) is N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CN2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KWTYNHGPCZQIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN2O2/c1-26-17-4-2-3-14(11-17)13-24-9-7-15(8-10-24)20(25)23-19-6-5-16(21)12-18(19)22/h2-6,11-12,15H,7-10,13H2,1H3,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 421.31 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38095881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).