N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride

C13H17BrClFN2O2 — CID 119708380

IUPACN-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(F)c(Br)c2)CCNCC1.Cl
InChIInChI=1S/C13H16BrFN2O2.ClH/c1-19-13(4-6-16-7-5-13)12(18)17-9-2-3-11(15)10(14)8-9;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H
InChIKeyVKDIRIZIPTXDRX-UHFFFAOYSA-N
MW367.65 g/mol
LogP2.72
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride

N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119708380) has the molecular formula C13H17BrClFN2O2 and a molecular weight of 367.65 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119708380
Molecular FormulaC13H17BrClFN2O2
Molecular Weight367.65 g/mol
Exact Mass366.01
IUPAC NameN-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(F)c(Br)c2)CCNCC1.Cl
InChIInChI=1S/C13H16BrFN2O2.ClH/c1-19-13(4-6-16-7-5-13)12(18)17-9-2-3-11(15)10(14)8-9;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H
InChIKeyVKDIRIZIPTXDRX-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.65
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119742392
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751498
N-(4-cyclopentyloxy-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119806534
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119708380) is N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2ccc(F)c(Br)c2)CCNCC1.Cl.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is VKDIRIZIPTXDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2.ClH/c1-19-13(4-6-16-7-5-13)12(18)17-9-2-3-11(15)10(14)8-9;/h2-3,8,16H,4-7H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 367.65 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119708380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).