(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

C15H22BrClN2O2 — CID 119694031

IUPAC(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)[C@H]2CCCCN2)cc1Br.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-10(11-6-7-14(20-2)12(16)9-11)18-15(19)13-5-3-4-8-17-13;/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19);1H/t10?,13-;/m1./s1
InChIKeyZTMJRKQMLNMTGI-XTBNCEIVSA-N
MW377.71 g/mol
LogP3.20
Rot. Bonds4

About (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119694031) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119694031
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)[C@H]2CCCCN2)cc1Br.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-10(11-6-7-14(20-2)12(16)9-11)18-15(19)13-5-3-4-8-17-13;/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19);1H/t10?,13-;/m1./s1
InChIKeyZTMJRKQMLNMTGI-XTBNCEIVSA-N
XLogP3.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694047
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43713408
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739144
N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119267767
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119694031) is (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is COc1ccc(C(C)NC(=O)[C@H]2CCCCN2)cc1Br.Cl.
What is the InChIKey of (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZTMJRKQMLNMTGI-XTBNCEIVSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-10(11-6-7-14(20-2)12(16)9-11)18-15(19)13-5-3-4-8-17-13;/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19);1H/t10?,13-;/m1./s1.
What are the key properties of (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119694031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).