N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide

C15H21BrN2O2 — CID 63122221

IUPACN-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1(C)CCNCC1
InChIInChI=1S/C15H21BrN2O2/c1-10-8-11(16)9-12(20-3)13(10)18-14(19)15(2)4-6-17-7-5-15/h8-9,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyTWYFWJSOPWPEBB-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.09
Rot. Bonds3

About N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide

N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 63122221) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide
PubChem CID63122221
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)C1(C)CCNCC1
InChIInChI=1S/C15H21BrN2O2/c1-10-8-11(16)9-12(20-3)13(10)18-14(19)15(2)4-6-17-7-5-15/h8-9,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyTWYFWJSOPWPEBB-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139955
4-amino-N-(4-bromo-2-methoxy-6-methylphenyl)oxane-4-carboxamide
CID 115294122
1-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64551670
N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63142327
4-methyl-N-(4-methyl-1H-pyrazol-5-yl)piperidine-4-carboxamide
CID 104619119
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
2-[1-(aminomethyl)cyclobutyl]-N-(4-bromo-2-methoxy-6-methylphenyl)acetamide
CID 81172402
1-(4-bromo-2-methoxy-6-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 47069290
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
CID 81291548

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide (CID 63122221) is N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide is COc1cc(Br)cc(C)c1NC(=O)C1(C)CCNCC1.
What is the InChIKey of N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is TWYFWJSOPWPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-8-11(16)9-12(20-3)13(10)18-14(19)15(2)4-6-17-7-5-15/h8-9,17H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide?
N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-6-methylphenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63122221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).