(1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

C16H26F3N3O2 — CID 99823220

IUPAC(1S,5S)-3-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)N1[C@H]2CC[C@H]1CC(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)/t12-,13-/m0/s1
InChIKeyUZBFOBHGHMFFCY-STQMWFEESA-N
MW349.40 g/mol
LogP1.96
Rot. Bonds3

About (1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 99823220) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is (1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID99823220
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name(1S,5S)-3-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)N1[C@H]2CC[C@H]1CC(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)/t12-,13-/m0/s1
InChIKeyUZBFOBHGHMFFCY-STQMWFEESA-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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Related Compounds

N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 86800124
3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 91650237
N-(2,6-dimethyloxan-4-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 109919486
N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 110019274
3-hydroxy-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 115621973
(1S,5S)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129430125
(1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129430126
(1S,5R)-3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
CID 68876247
(1S,5R)-3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68876248
3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide;hydrochloride
CID 68876251
3-hydroxy-N-[(3S)-piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 68876252
N-(1-tert-butylpiperidin-3-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 69153960

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 99823220) is (1S,5S)-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 (1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5S)-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)N1[C@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UZBFOBHGHMFFCY-STQMWFEESA-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)/t12-,13-/m0/s1.
What are the key properties of (1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5S)-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 (1S,5S)-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 99823220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).