N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide

C15H21BrN2O — CID 104597094

IUPACN-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(C)CCCCN2)c(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-10-8-11(2)13(12(16)9-10)18-14(19)15(3)6-4-5-7-17-15/h8-9,17H,4-7H2,1-3H3,(H,18,19)
InChIKeySSEHFXQMQUKTRK-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.54
Rot. Bonds2

About N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide

N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 104597094) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide
PubChem CID104597094
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(C)CCCCN2)c(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-10-8-11(2)13(12(16)9-10)18-14(19)15(3)6-4-5-7-17-15/h8-9,17H,4-7H2,1-3H3,(H,18,19)
InChIKeySSEHFXQMQUKTRK-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368545
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-2-carboxamide
CID 104597136
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597189
2-methyl-N-(3-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 104596093
4-bromo-2-[(2-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 104596607
methyl 4-methyl-3-[(2-methylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylate
CID 114915561
2-methyl-N-(4-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 113368673
N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979652

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide (CID 104597094) is N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide is Cc1cc(C)c(NC(=O)C2(C)CCCCN2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is SSEHFXQMQUKTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-8-11(2)13(12(16)9-10)18-14(19)15(3)6-4-5-7-17-15/h8-9,17H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide?
N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104597094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).