N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide

C14H19BrN2O2 — CID 119704635

IUPACN-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(C)c(Br)c2)CCNCC1
InChIInChI=1S/C14H19BrN2O2/c1-10-3-4-11(9-12(10)15)17-13(18)14(19-2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyWZCRSDCGIRKTSG-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.46
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide

N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119704635) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
PubChem CID119704635
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(C)c(Br)c2)CCNCC1
InChIInChI=1S/C14H19BrN2O2/c1-10-3-4-11(9-12(10)15)17-13(18)14(19-2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyWZCRSDCGIRKTSG-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119764561
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119768211
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119720377

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide (CID 119704635) is N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2ccc(C)c(Br)c2)CCNCC1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is WZCRSDCGIRKTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-3-4-11(9-12(10)15)17-13(18)14(19-2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide?
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.46, 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-methylphenyl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119704635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).