3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

C16H26F3N3O2 — CID 91650237

IUPAC3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C16H26F3N3O2/c17-16(18,19)10-21-5-3-11(4-6-21)9-20-15(24)22-12-1-2-13(22)8-14(23)7-12/h11-14,23H,1-10H2,(H,20,24)
InChIKeyUZBFOBHGHMFFCY-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.96
Rot. Bonds3

About 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 91650237) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID91650237
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C16H26F3N3O2/c17-16(18,19)10-21-5-3-11(4-6-21)9-20-15(24)22-12-1-2-13(22)8-14(23)7-12/h11-14,23H,1-10H2,(H,20,24)
InChIKeyUZBFOBHGHMFFCY-UHFFFAOYSA-N
XLogP1.96
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 91650237) is 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCC1CCN(CC(F)(F)F)CC1)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UZBFOBHGHMFFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c17-16(18,19)10-21-5-3-11(4-6-21)9-20-15(24)22-12-1-2-13(22)8-14(23)7-12/h11-14,23H,1-10H2,(H,20,24).
What are the key properties of 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 91650237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).