1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid

C16H21F3N4O3 — CID 171600993

IUPAC1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CC3CCC(C2)N3c2onnc2C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N4O3/c17-16(18,19)13-14(26-21-20-13)23-10-1-2-11(23)8-12(7-10)22-5-3-9(4-6-22)15(24)25/h9-12H,1-8H2,(H,24,25)
InChIKeyRKFUGKHRNNZPGV-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.38
Rot. Bonds3

About 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid

1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid (PubChem CID 171600993) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid
PubChem CID171600993
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC Name1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CC3CCC(C2)N3c2onnc2C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N4O3/c17-16(18,19)13-14(26-21-20-13)23-10-1-2-11(23)8-12(7-10)22-5-3-9(4-6-22)15(24)25/h9-12H,1-8H2,(H,24,25)
InChIKeyRKFUGKHRNNZPGV-UHFFFAOYSA-N
XLogP2.38
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid (CID 171600993) is 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C2CC3CCC(C2)N3c2onnc2C(F)(F)F)CC1.
What is the InChIKey of 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid?
The InChIKey is RKFUGKHRNNZPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c17-16(18,19)13-14(26-21-20-13)23-10-1-2-11(23)8-12(7-10)22-5-3-9(4-6-22)15(24)25/h9-12H,1-8H2,(H,24,25).
What are the key properties of 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid?
1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid has a molecular weight of 374.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4-(trifluoromethyl)oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 171600993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).