(1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide

C16H21FN2O3 — CID 70731875

IUPAC(1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccccc1F)CC2
InChIInChI=1S/C16H21FN2O3/c1-22-14-10-13(20)16(14)6-8-19(9-7-16)15(21)18-12-5-3-2-4-11(12)17/h2-5,13-14,20H,6-10H2,1H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyAHYBDGJNFJDFQY-KGLIPLIRSA-N
MW308.35 g/mol
LogP2.22
Rot. Bonds2

About (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide

(1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 70731875) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID70731875
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name(1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccccc1F)CC2
InChIInChI=1S/C16H21FN2O3/c1-22-14-10-13(20)16(14)6-8-19(9-7-16)15(21)18-12-5-3-2-4-11(12)17/h2-5,13-14,20H,6-10H2,1H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyAHYBDGJNFJDFQY-KGLIPLIRSA-N
XLogP2.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide (CID 70731875) is (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide is CO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccccc1F)CC2.
What is the InChIKey of (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is AHYBDGJNFJDFQY-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-22-14-10-13(20)16(14)6-8-19(9-7-16)15(21)18-12-5-3-2-4-11(12)17/h2-5,13-14,20H,6-10H2,1H3,(H,18,21)/t13-,14+/m1/s1.
What are the key properties of (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide?
(1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-N-(2-fluorophenyl)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 70731875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).