[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

C19H25FN2O2 — CID 124698479

IUPAC[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O2/c20-14-3-5-15(6-4-14)24-16-7-9-22(10-8-16)19(23)17-12-1-2-13(11-12)18(17)21/h3-6,12-13,16-18H,1-2,7-11,21H2/t12-,13-,17-,18+/m0/s1
InChIKeyLQRNDWMJQVLXPS-DSIZOQBWSA-N
MW332.42 g/mol
LogP2.57
Rot. Bonds3

About [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone

[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 124698479) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID124698479
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
SMILESN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O2/c20-14-3-5-15(6-4-14)24-16-7-9-22(10-8-16)19(23)17-12-1-2-13(11-12)18(17)21/h3-6,12-13,16-18H,1-2,7-11,21H2/t12-,13-,17-,18+/m0/s1
InChIKeyLQRNDWMJQVLXPS-DSIZOQBWSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone 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 [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone (CID 124698479) is [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is LQRNDWMJQVLXPS-DSIZOQBWSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-14-3-5-15(6-4-14)24-16-7-9-22(10-8-16)19(23)17-12-1-2-13(11-12)18(17)21/h3-6,12-13,16-18H,1-2,7-11,21H2/t12-,13-,17-,18+/m0/s1.
What are the key properties of [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone?
[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 332.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 124698479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).