N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide

C15H22BrN3O — CID 106739102

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2cc(Br)ccc2N(C)C)CCN1
InChIInChI=1S/C15H22BrN3O/c1-10-8-11(6-7-17-10)15(20)18-13-9-12(16)4-5-14(13)19(2)3/h4-5,9-11,17H,6-8H2,1-3H3,(H,18,20)
InChIKeyXBPLTWZFSJBIFB-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.84
Rot. Bonds3

About N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide

N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106739102) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID106739102
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2cc(Br)ccc2N(C)C)CCN1
InChIInChI=1S/C15H22BrN3O/c1-10-8-11(6-7-17-10)15(20)18-13-9-12(16)4-5-14(13)19(2)3/h4-5,9-11,17H,6-8H2,1-3H3,(H,18,20)
InChIKeyXBPLTWZFSJBIFB-UHFFFAOYSA-N
XLogP2.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66009775
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620445
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93268970
(2S,4S)-N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120640206
(2S,4S)-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide
CID 120629339
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
3-bromo-4-[(2-methylpiperidine-4-carbonyl)amino]benzoic acid
CID 106740129
N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434603
(2S,4S)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629529
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide (CID 106739102) is N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)Nc2cc(Br)ccc2N(C)C)CCN1.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is XBPLTWZFSJBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-10-8-11(6-7-17-10)15(20)18-13-9-12(16)4-5-14(13)19(2)3/h4-5,9-11,17H,6-8H2,1-3H3,(H,18,20).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide?
N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106739102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).