N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride

C16H23ClN2O — CID 118718249

IUPACN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-2-16(19)18(14-6-4-3-5-7-14)15-10-12-8-9-13(11-15)17-12;/h3-7,12-13,15,17H,2,8-11H2,1H3;1H/t12-,13+,15?;
InChIKeyUPQGUAKYZKQYDB-HLRVCSOFSA-N
MW294.83 g/mol
LogP3.13
Rot. Bonds3

About N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride

N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride (PubChem CID 118718249) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride
PubChem CID118718249
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-2-16(19)18(14-6-4-3-5-7-14)15-10-12-8-9-13(11-15)17-12;/h3-7,12-13,15,17H,2,8-11H2,1H3;1H/t12-,13+,15?;
InChIKeyUPQGUAKYZKQYDB-HLRVCSOFSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride 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-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
The IUPAC name of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride (CID 118718249) is N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride is CCC(=O)N(c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2.Cl.
What is the InChIKey of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
The InChIKey is UPQGUAKYZKQYDB-HLRVCSOFSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-2-16(19)18(14-6-4-3-5-7-14)15-10-12-8-9-13(11-15)17-12;/h3-7,12-13,15,17H,2,8-11H2,1H3;1H/t12-,13+,15?;.
What are the key properties of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride?
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 118718249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).