2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

C14H18ClFN2O — CID 45074477

IUPAC2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1N(c2cccc(F)c2)CCC12CCNCC2
InChIInChI=1S/C14H17FN2O.ClH/c15-11-2-1-3-12(10-11)17-9-6-14(13(17)18)4-7-16-8-5-14;/h1-3,10,16H,4-9H2;1H
InChIKeyFBEIWWZUWYFNQA-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.35
Rot. Bonds1

About 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 45074477) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID45074477
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1N(c2cccc(F)c2)CCC12CCNCC2
InChIInChI=1S/C14H17FN2O.ClH/c15-11-2-1-3-12(10-11)17-9-6-14(13(17)18)4-7-16-8-5-14;/h1-3,10,16H,4-9H2;1H
InChIKeyFBEIWWZUWYFNQA-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
[(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide
CID 159176510
3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56773862
methyl (5R,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
CID 58237205
2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66742759
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
CID 155852318
1-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 59688410
(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylic acid;methyl (5R,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
CID 158707593
(5S,7R,9S)-2-(3-fluorophenyl)-9-[2-(3-fluorophenyl)-2-oxoethyl]-7-hydroxy-2-azaspiro[4.5]decan-1-one
CID 58237379
2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472958
1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one
CID 120905183
2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione
CID 122672767

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (CID 45074477) is 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is Cl.O=C1N(c2cccc(F)c2)CCC12CCNCC2.
What is the InChIKey of 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is FBEIWWZUWYFNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O.ClH/c15-11-2-1-3-12(10-11)17-9-6-14(13(17)18)4-7-16-8-5-14;/h1-3,10,16H,4-9H2;1H.
What are the key properties of 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 284.76 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 45074477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).