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

C15H21BrN2O2 — CID 103808029

IUPAC(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C15H21BrN2O2/c1-18(15(19)13-5-3-4-8-17-13)10-11-9-12(16)6-7-14(11)20-2/h6-7,9,13,17H,3-5,8,10H2,1-2H3/t13-/m1/s1
InChIKeyCJELBOUWBRPUPV-CYBMUJFWSA-N
MW341.25 g/mol
LogP2.56
Rot. Bonds4

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

(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 103808029) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID103808029
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C15H21BrN2O2/c1-18(15(19)13-5-3-4-8-17-13)10-11-9-12(16)6-7-14(11)20-2/h6-7,9,13,17H,3-5,8,10H2,1-2H3/t13-/m1/s1
InChIKeyCJELBOUWBRPUPV-CYBMUJFWSA-N
XLogP2.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909397
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
2-(5-bromo-2-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547520
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60962824
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119705002
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682796
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119309836
(2R)-N-[(2-ethoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103809566
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 103808029) is (2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is CJELBOUWBRPUPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-18(15(19)13-5-3-4-8-17-13)10-11-9-12(16)6-7-14(11)20-2/h6-7,9,13,17H,3-5,8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103808029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).