N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide

C13H24F3N3O2 — CID 63252882

IUPACN-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3N3O2/c14-13(15,16)10-21-8-2-7-19-6-1-3-11(9-19)12(20)18-5-4-17/h11H,1-10,17H2,(H,18,20)
InChIKeyUMQHLYOYLBJNQW-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.74
Rot. Bonds8

About N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide (PubChem CID 63252882) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide
PubChem CID63252882
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC NameN-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3N3O2/c14-13(15,16)10-21-8-2-7-19-6-1-3-11(9-19)12(20)18-5-4-17/h11H,1-10,17H2,(H,18,20)
InChIKeyUMQHLYOYLBJNQW-UHFFFAOYSA-N
XLogP0.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide (CID 63252882) is N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(CCCOCC(F)(F)F)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide?
The InChIKey is UMQHLYOYLBJNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c14-13(15,16)10-21-8-2-7-19-6-1-3-11(9-19)12(20)18-5-4-17/h11H,1-10,17H2,(H,18,20).
What are the key properties of N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 63252882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).