N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide

C15H18F3N3O2 — CID 119480903

IUPACN-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C15H18F3N3O2/c16-10-6-11(17)13(12(18)7-10)15(23)21-5-1-2-9(8-21)14(22)20-4-3-19/h6-7,9H,1-5,8,19H2,(H,20,22)
InChIKeyJOHFYXMOERSHLO-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.03
Rot. Bonds4

About N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide (PubChem CID 119480903) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
PubChem CID119480903
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C15H18F3N3O2/c16-10-6-11(17)13(12(18)7-10)15(23)21-5-1-2-9(8-21)14(22)20-4-3-19/h6-7,9H,1-5,8,19H2,(H,20,22)
InChIKeyJOHFYXMOERSHLO-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482140
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(5-fluoro-3-methyl-2-nitrobenzoyl)piperidine-3-carboxamide
CID 119482021
N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide
CID 119480250
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481306
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide (CID 119480903) is N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2c(F)cc(F)cc2F)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is JOHFYXMOERSHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-10-6-11(17)13(12(18)7-10)15(23)21-5-1-2-9(8-21)14(22)20-4-3-19/h6-7,9H,1-5,8,19H2,(H,20,22).
What are the key properties of N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 1.03, 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-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119480903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).