N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide

C17H24F2N2O2 — CID 123165067

IUPACN-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide
SMILESCCNC(=O)C1C(F)C(F)C(O)CN1CCCc1ccccc1
InChIInChI=1S/C17H24F2N2O2/c1-2-20-17(23)16-15(19)14(18)13(22)11-21(16)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-16,22H,2,6,9-11H2,1H3,(H,20,23)
InChIKeyLVFYLRZIBFRUAM-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.48
Rot. Bonds6

About N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide

N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide (PubChem CID 123165067) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide
PubChem CID123165067
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC NameN-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide
SMILESCCNC(=O)C1C(F)C(F)C(O)CN1CCCc1ccccc1
InChIInChI=1S/C17H24F2N2O2/c1-2-20-17(23)16-15(19)14(18)13(22)11-21(16)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-16,22H,2,6,9-11H2,1H3,(H,20,23)
InChIKeyLVFYLRZIBFRUAM-UHFFFAOYSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide?
The IUPAC name of N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide (CID 123165067) is N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide?
The canonical SMILES for N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide is CCNC(=O)C1C(F)C(F)C(O)CN1CCCc1ccccc1.
What is the InChIKey of N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide?
The InChIKey is LVFYLRZIBFRUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-2-20-17(23)16-15(19)14(18)13(22)11-21(16)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-16,22H,2,6,9-11H2,1H3,(H,20,23).
What are the key properties of N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide?
N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-difluoro-5-hydroxy-1-(3-phenylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 123165067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).