N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide

C15H21BrN2O — CID 115159785

IUPACN-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCc1ccc(Br)cc1CN(C)C(=O)C1CCCCN1
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-13(16)9-12(11)10-18(2)15(19)14-5-3-4-8-17-14/h6-7,9,14,17H,3-5,8,10H2,1-2H3
InChIKeyBLMKWCPAYRIWOP-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.86
Rot. Bonds3

About N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide

N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 115159785) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID115159785
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCc1ccc(Br)cc1CN(C)C(=O)C1CCCCN1
InChIInChI=1S/C15H21BrN2O/c1-11-6-7-13(16)9-12(11)10-18(2)15(19)14-5-3-4-8-17-14/h6-7,9,14,17H,3-5,8,10H2,1-2H3
InChIKeyBLMKWCPAYRIWOP-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103808029
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119312649
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119293813
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 115159785) is N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide is Cc1ccc(Br)cc1CN(C)C(=O)C1CCCCN1.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is BLMKWCPAYRIWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-6-7-13(16)9-12(11)10-18(2)15(19)14-5-3-4-8-17-14/h6-7,9,14,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 115159785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).