2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one

C18H24F2N2O2 — CID 97274757

IUPAC2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESC[C@@H](O)CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C18H24F2N2O2/c1-13(23)10-21-4-2-18(3-5-21)9-17(24)22(12-18)11-14-6-15(19)8-16(20)7-14/h6-8,13,23H,2-5,9-12H2,1H3/t13-/m1/s1
InChIKeyADJWFCLROAWVNG-CYBMUJFWSA-N
MW338.40 g/mol
LogP2.16
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97274757) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97274757
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESC[C@@H](O)CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C18H24F2N2O2/c1-13(23)10-21-4-2-18(3-5-21)9-17(24)22(12-18)11-14-6-15(19)8-16(20)7-14/h6-8,13,23H,2-5,9-12H2,1H3/t13-/m1/s1
InChIKeyADJWFCLROAWVNG-CYBMUJFWSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-8-[(2S)-2-methoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191342
methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate
CID 97130235
8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72856538
2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one
CID 91940537
methyl 2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]butanoate
CID 72875092
2-[(3,5-difluorophenyl)methyl]-8-propylsulfonyl-2,8-diazaspiro[4.5]decan-3-one
CID 72904883
8-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851747
8-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
CID 154900459
8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899239
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70783678
8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72849597
2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70728701

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97274757) is 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one is C[C@@H](O)CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ADJWFCLROAWVNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-13(23)10-21-4-2-18(3-5-21)9-17(24)22(12-18)11-14-6-15(19)8-16(20)7-14/h6-8,13,23H,2-5,9-12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 338.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97274757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).