N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride

C15H20BrClFN3O2 — CID 119482140

IUPACN-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)c2c(F)cccc2Br)C1
InChIInChI=1S/C15H19BrFN3O2.ClH/c16-11-4-1-5-12(17)13(11)15(22)20-8-2-3-10(9-20)14(21)19-7-6-18;/h1,4-5,10H,2-3,6-9,18H2,(H,19,21);1H
InChIKeyRLOXQINTBYAJFP-UHFFFAOYSA-N
MW408.70 g/mol
LogP1.94
Rot. Bonds4

About N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119482140) has the molecular formula C15H20BrClFN3O2 and a molecular weight of 408.70 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119482140
Molecular FormulaC15H20BrClFN3O2
Molecular Weight408.70 g/mol
Exact Mass407.04
IUPAC NameN-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)c2c(F)cccc2Br)C1
InChIInChI=1S/C15H19BrFN3O2.ClH/c16-11-4-1-5-12(17)13(11)15(22)20-8-2-3-10(9-20)14(21)19-7-6-18;/h1,4-5,10H,2-3,6-9,18H2,(H,19,21);1H
InChIKeyRLOXQINTBYAJFP-UHFFFAOYSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.70
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103733703
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903
N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141
N-(2-aminoethyl)-1-[2-(2,6-difluorophenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482040
methyl (3S)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxylate
CID 103733467
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482146
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 124569711
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481003
N-(2-aminoethyl)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480744

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride (CID 119482140) is N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(C(=O)c2c(F)cccc2Br)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is RLOXQINTBYAJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O2.ClH/c16-11-4-1-5-12(17)13(11)15(22)20-8-2-3-10(9-20)14(21)19-7-6-18;/h1,4-5,10H,2-3,6-9,18H2,(H,19,21);1H.
What are the key properties of N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 408.70 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119482140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).