N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride

C17H25BrClN3O3 — CID 119481152

IUPACN-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(Oc1ccccc1Br)C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C17H24BrN3O3.ClH/c1-12(24-15-7-3-2-6-14(15)18)17(23)21-10-4-5-13(11-21)16(22)20-9-8-19;/h2-3,6-7,12-13H,4-5,8-11,19H2,1H3,(H,20,22);1H
InChIKeyIJXWQZOELDJQJS-UHFFFAOYSA-N
MW434.76 g/mol
LogP1.95
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119481152) has the molecular formula C17H25BrClN3O3 and a molecular weight of 434.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119481152
Molecular FormulaC17H25BrClN3O3
Molecular Weight434.76 g/mol
Exact Mass433.08
IUPAC NameN-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(Oc1ccccc1Br)C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C17H24BrN3O3.ClH/c1-12(24-15-7-3-2-6-14(15)18)17(23)21-10-4-5-13(11-21)16(22)20-9-8-19;/h2-3,6-7,12-13H,4-5,8-11,19H2,1H3,(H,20,22);1H
InChIKeyIJXWQZOELDJQJS-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-[2-(3,4-dichlorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479851
N-(2-aminoethyl)-1-[2-(2-chlorophenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481611
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715
N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482140
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479394
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride (CID 119481152) is N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride is CC(Oc1ccccc1Br)C(=O)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is IJXWQZOELDJQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3.ClH/c1-12(24-15-7-3-2-6-14(15)18)17(23)21-10-4-5-13(11-21)16(22)20-9-8-19;/h2-3,6-7,12-13H,4-5,8-11,19H2,1H3,(H,20,22);1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 434.76 g/mol, XLogP of 1.95, 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-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119481152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).