(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride

C15H22BrClN2O2 — CID 119684300

IUPAC(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-18(15(19)14-4-2-3-9-17-14)10-11-20-13-7-5-12(16)6-8-13;/h5-8,14,17H,2-4,9-11H2,1H3;1H/t14-;/m0./s1
InChIKeyNLNHWHMLNFCMFJ-UQKRIMTDSA-N
MW377.71 g/mol
LogP2.85
Rot. Bonds5

About (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride

(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119684300) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID119684300
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-18(15(19)14-4-2-3-9-17-14)10-11-20-13-7-5-12(16)6-8-13;/h5-8,14,17H,2-4,9-11H2,1H3;1H/t14-;/m0./s1
InChIKeyNLNHWHMLNFCMFJ-UQKRIMTDSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119695444
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
CID 119344771
2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 64823580
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983601
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride (CID 119684300) is (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride is CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is NLNHWHMLNFCMFJ-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-18(15(19)14-4-2-3-9-17-14)10-11-20-13-7-5-12(16)6-8-13;/h5-8,14,17H,2-4,9-11H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119684300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).