N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide

C15H21BrFN3O — CID 81431674

IUPACN-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C15H21BrFN3O/c16-13-4-3-11(8-14(13)17)9-20-7-1-2-12(10-20)15(21)19-6-5-18/h3-4,8,12H,1-2,5-7,9-10,18H2,(H,19,21)
InChIKeyLTJJLOFABMDJAX-UHFFFAOYSA-N
MW358.26 g/mol
LogP1.88
Rot. Bonds5

About N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 81431674) has the molecular formula C15H21BrFN3O and a molecular weight of 358.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID81431674
Molecular FormulaC15H21BrFN3O
Molecular Weight358.26 g/mol
Exact Mass357.09
IUPAC NameN-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C15H21BrFN3O/c16-13-4-3-11(8-14(13)17)9-20-7-1-2-12(10-20)15(21)19-6-5-18/h3-4,8,12H,1-2,5-7,9-10,18H2,(H,19,21)
InChIKeyLTJJLOFABMDJAX-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide
CID 63252329
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916793
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141
N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120837238
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide
CID 120837363
methyl 3-[[3-(2-aminoethylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 120837370
N-(2-aminoethyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidine-3-carboxamide
CID 120837331

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 81431674) is N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2ccc(Br)c(F)c2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LTJJLOFABMDJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3O/c16-13-4-3-11(8-14(13)17)9-20-7-1-2-12(10-20)15(21)19-6-5-18/h3-4,8,12H,1-2,5-7,9-10,18H2,(H,19,21).
What are the key properties of N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 358.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81431674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).