(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

C14H20BrClN2O — CID 119717187

IUPAC(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-17(10-11-5-4-6-12(15)9-11)14(18)13-7-2-3-8-16-13;/h4-6,9,13,16H,2-3,7-8,10H2,1H3;1H/t13-;/m0./s1
InChIKeyXNYBZMSEFJGBLP-ZOWNYOTGSA-N
MW347.68 g/mol
LogP2.97
Rot. Bonds3

About (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119717187) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID119717187
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-17(10-11-5-4-6-12(15)9-11)14(18)13-7-2-3-8-16-13;/h4-6,9,13,16H,2-3,7-8,10H2,1H3;1H/t13-;/m0./s1
InChIKeyXNYBZMSEFJGBLP-ZOWNYOTGSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
N-[(3-cyanophenyl)methyl]-N-methylazepane-2-carboxamide
CID 64561888
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-[(3-bromophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178038
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104900946
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (CID 119717187) is (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride is CN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is XNYBZMSEFJGBLP-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-17(10-11-5-4-6-12(15)9-11)14(18)13-7-2-3-8-16-13;/h4-6,9,13,16H,2-3,7-8,10H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119717187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).