N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H26FN3O2 — CID 11566429

IUPACN-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ccccc2F)C1)N1C2CCC1CC(O)C2
InChIInChI=1S/C19H26FN3O2/c20-17-5-1-2-6-18(17)22-9-3-4-13(12-22)21-19(25)23-14-7-8-15(23)11-16(24)10-14/h1-2,5-6,13-16,24H,3-4,7-12H2,(H,21,25)/t13-,14?,15?,16?/m0/s1
InChIKeyRRDJVYUVLQRTFR-CUUNVARJSA-N
MW347.43 g/mol
LogP2.49
Rot. Bonds2

About N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 11566429) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID11566429
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ccccc2F)C1)N1C2CCC1CC(O)C2
InChIInChI=1S/C19H26FN3O2/c20-17-5-1-2-6-18(17)22-9-3-4-13(12-22)21-19(25)23-14-7-8-15(23)11-16(24)10-14/h1-2,5-6,13-16,24H,3-4,7-12H2,(H,21,25)/t13-,14?,15?,16?/m0/s1
InChIKeyRRDJVYUVLQRTFR-CUUNVARJSA-N
XLogP2.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 11566429) is N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(N[C@H]1CCCN(c2ccccc2F)C1)N1C2CCC1CC(O)C2.
What is the InChIKey of N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is RRDJVYUVLQRTFR-CUUNVARJSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-17-5-1-2-6-18(17)22-9-3-4-13(12-22)21-19(25)23-14-7-8-15(23)11-16(24)10-14/h1-2,5-6,13-16,24H,3-4,7-12H2,(H,21,25)/t13-,14?,15?,16?/m0/s1.
What are the key properties of N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-fluorophenyl)piperidin-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 11566429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).