N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride

C17H25BrClN3O3 — CID 119480672

IUPACN-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(Br)cc1CC(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C17H24BrN3O3.ClH/c1-24-15-5-4-14(18)9-13(15)10-16(22)21-8-2-3-12(11-21)17(23)20-7-6-19;/h4-5,9,12H,2-3,6-8,10-11,19H2,1H3,(H,20,23);1H
InChIKeyXYYDLAGAMYWFJX-UHFFFAOYSA-N
MW434.76 g/mol
LogP1.74
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119480672) has the molecular formula C17H25BrClN3O3 and a molecular weight of 434.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119480672
Molecular FormulaC17H25BrClN3O3
Molecular Weight434.76 g/mol
Exact Mass433.08
IUPAC NameN-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(Br)cc1CC(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C17H24BrN3O3.ClH/c1-24-15-5-4-14(18)9-13(15)10-16(22)21-8-2-3-12(11-21)17(23)20-7-6-19;/h4-5,9,12H,2-3,6-8,10-11,19H2,1H3,(H,20,23);1H
InChIKeyXYYDLAGAMYWFJX-UHFFFAOYSA-N
XLogP1.74
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.76
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(4-bromo-2-methoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480740
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867
2-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 115276974
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 124611576
N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 119480066
N-(2-aminoethyl)-1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482146
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
N-(2-aminoethyl)-1-[2-(2,6-difluorophenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482040
N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
CID 119480695
N-(2-aminoethyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119479666
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479381

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride (CID 119480672) is N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride is COc1ccc(Br)cc1CC(=O)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is XYYDLAGAMYWFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3.ClH/c1-24-15-5-4-14(18)9-13(15)10-16(22)21-8-2-3-12(11-21)17(23)20-7-6-19;/h4-5,9,12H,2-3,6-8,10-11,19H2,1H3,(H,20,23);1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 434.76 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(5-bromo-2-methoxyphenyl)acetyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119480672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).