(5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride

C21H24ClFN2O2 — CID 66700633

IUPAC(5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1NCC[C@]12CCC[C@H](c1ccc(OCc3ccccc3F)cc1)N2
InChIInChI=1S/C21H23FN2O2.ClH/c22-18-5-2-1-4-16(18)14-26-17-9-7-15(8-10-17)19-6-3-11-21(24-19)12-13-23-20(21)25;/h1-2,4-5,7-10,19,24H,3,6,11-14H2,(H,23,25);1H/t19-,21-;/m1./s1
InChIKeyGJOZWTKWPQPBSF-GNGUGDOWSA-N
MW390.89 g/mol
LogP3.90
Rot. Bonds4

About (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride

(5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 66700633) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name(5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID66700633
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC Name(5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1NCC[C@]12CCC[C@H](c1ccc(OCc3ccccc3F)cc1)N2
InChIInChI=1S/C21H23FN2O2.ClH/c22-18-5-2-1-4-16(18)14-26-17-9-7-15(8-10-17)19-6-3-11-21(24-19)12-13-23-20(21)25;/h1-2,4-5,7-10,19,24H,3,6,11-14H2,(H,23,25);1H/t19-,21-;/m1./s1
InChIKeyGJOZWTKWPQPBSF-GNGUGDOWSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;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 (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride (CID 66700633) is (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride is Cl.O=C1NCC[C@]12CCC[C@H](c1ccc(OCc3ccccc3F)cc1)N2.
What is the InChIKey of (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is GJOZWTKWPQPBSF-GNGUGDOWSA-N. The full InChI is InChI=1S/C21H23FN2O2.ClH/c22-18-5-2-1-4-16(18)14-26-17-9-7-15(8-10-17)19-6-3-11-21(24-19)12-13-23-20(21)25;/h1-2,4-5,7-10,19,24H,3,6,11-14H2,(H,23,25);1H/t19-,21-;/m1./s1.
What are the key properties of (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride?
(5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 390.89 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 66700633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).