N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride

C15H22BrClN2O3 — CID 119312699

IUPACN-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(CNC(=O)C2CCCNC2)cc(Br)c1OC.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-20-13-7-10(6-12(16)14(13)21-2)8-18-15(19)11-4-3-5-17-9-11;/h6-7,11,17H,3-5,8-9H2,1-2H3,(H,18,19);1H
InChIKeyWFMPNWJYZYPHEA-UHFFFAOYSA-N
MW393.71 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119312699) has the molecular formula C15H22BrClN2O3 and a molecular weight of 393.71 g/mol. Its IUPAC name is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119312699
Molecular FormulaC15H22BrClN2O3
Molecular Weight393.71 g/mol
Exact Mass392.05
IUPAC NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(CNC(=O)C2CCCNC2)cc(Br)c1OC.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-20-13-7-10(6-12(16)14(13)21-2)8-18-15(19)11-4-3-5-17-9-11;/h6-7,11,17H,3-5,8-9H2,1-2H3,(H,18,19);1H
InChIKeyWFMPNWJYZYPHEA-UHFFFAOYSA-N
XLogP2.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 119764891
N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119284599
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618500
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119287644
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119320836
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119312699) is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride is COc1cc(CNC(=O)C2CCCNC2)cc(Br)c1OC.Cl.
What is the InChIKey of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WFMPNWJYZYPHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3.ClH/c1-20-13-7-10(6-12(16)14(13)21-2)8-18-15(19)11-4-3-5-17-9-11;/h6-7,11,17H,3-5,8-9H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 393.71 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119312699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).