N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C15H23F3N2O2 — CID 86800124

IUPACN-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC(C1CCCC1)C(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H23F3N2O2/c16-15(17,18)13(9-3-1-2-4-9)19-14(22)20-10-5-6-11(20)8-12(21)7-10/h9-13,21H,1-8H2,(H,19,22)
InChIKeyZGHNNPGSKZNLGL-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.80
Rot. Bonds2

About N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 86800124) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID86800124
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC NameN-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC(C1CCCC1)C(F)(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H23F3N2O2/c16-15(17,18)13(9-3-1-2-4-9)19-14(22)20-10-5-6-11(20)8-12(21)7-10/h9-13,21H,1-8H2,(H,19,22)
InChIKeyZGHNNPGSKZNLGL-UHFFFAOYSA-N
XLogP2.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 86800124) is N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NC(C1CCCC1)C(F)(F)F)N1C2CCC1CC(O)C2.
What is the InChIKey of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is ZGHNNPGSKZNLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c16-15(17,18)13(9-3-1-2-4-9)19-14(22)20-10-5-6-11(20)8-12(21)7-10/h9-13,21H,1-8H2,(H,19,22).
What are the key properties of N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 86800124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).