(1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C15H23F3N2O2 — CID 129430126

IUPAC(1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@@H](C1CCCC1)C(F)(F)F)N1[C@H]2CC[C@H]1CC(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)/t10-,11-,13-/m0/s1
InChIKeyZGHNNPGSKZNLGL-GVXVVHGQSA-N
MW320.36 g/mol
LogP2.80
Rot. Bonds2

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

(1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 129430126) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is (1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID129430126
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name(1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@@H](C1CCCC1)C(F)(F)F)N1[C@H]2CC[C@H]1CC(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)/t10-,11-,13-/m0/s1
InChIKeyZGHNNPGSKZNLGL-GVXVVHGQSA-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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Related Compounds

1-[(2-Hydroxycyclohexyl)methyl]-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 75473220
(3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide
CID 86792371
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
1-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 97341581
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 97341583
(3S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 97881328
(3S)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 97881329
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620919
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620922
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620923
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620924

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 129430126) is (1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1[C@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is ZGHNNPGSKZNLGL-GVXVVHGQSA-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)/t10-,11-,13-/m0/s1.
What are the key properties of (1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5S)-N-[(1S)-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 (1S,5S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 129430126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).