N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide

C13H19Br2N3O2 — CID 63252329

IUPACN-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cc(Br)c(Br)o2)C1
InChIInChI=1S/C13H19Br2N3O2/c14-11-6-10(20-12(11)15)8-18-5-1-2-9(7-18)13(19)17-4-3-16/h6,9H,1-5,7-8,16H2,(H,17,19)
InChIKeyWSUNERRCABSUIJ-UHFFFAOYSA-N
MW409.12 g/mol
LogP2.09
Rot. Bonds5

About N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 63252329) has the molecular formula C13H19Br2N3O2 and a molecular weight of 409.12 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide
PubChem CID63252329
Molecular FormulaC13H19Br2N3O2
Molecular Weight409.12 g/mol
Exact Mass406.98
IUPAC NameN-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cc(Br)c(Br)o2)C1
InChIInChI=1S/C13H19Br2N3O2/c14-11-6-10(20-12(11)15)8-18-5-1-2-9(7-18)13(19)17-4-3-16/h6,9H,1-5,7-8,16H2,(H,17,19)
InChIKeyWSUNERRCABSUIJ-UHFFFAOYSA-N
XLogP2.09
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.12
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81431674
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-(2-aminoethyl)-1-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916793
N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 103815402
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide
CID 63325355
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
N-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide (CID 63252329) is N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2cc(Br)c(Br)o2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is WSUNERRCABSUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2N3O2/c14-11-6-10(20-12(11)15)8-18-5-1-2-9(7-18)13(19)17-4-3-16/h6,9H,1-5,7-8,16H2,(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 409.12 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63252329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).