methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate

C18H22F2N2O3 — CID 58118684

IUPACmethyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCCC2)NC[C@@]1(C)c1cc(F)cc(F)c1
InChIInChI=1S/C18H22F2N2O3/c1-17(12-7-13(19)9-14(20)8-12)11-21-18(5-3-4-6-18)16(24)22(17)10-15(23)25-2/h7-9,21H,3-6,10-11H2,1-2H3/t17-/m0/s1
InChIKeyDKEKVCSPUSOFNJ-KRWDZBQOSA-N
MW352.38 g/mol
LogP2.10
Rot. Bonds3

About methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate

methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate (PubChem CID 58118684) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate
PubChem CID58118684
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Namemethyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCCC2)NC[C@@]1(C)c1cc(F)cc(F)c1
InChIInChI=1S/C18H22F2N2O3/c1-17(12-7-13(19)9-14(20)8-12)11-21-18(5-3-4-6-18)16(24)22(17)10-15(23)25-2/h7-9,21H,3-6,10-11H2,1-2H3/t17-/m0/s1
InChIKeyDKEKVCSPUSOFNJ-KRWDZBQOSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate?
The IUPAC name of methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate (CID 58118684) is methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate.
What is the SMILES notation for methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate?
The canonical SMILES for methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate is COC(=O)CN1C(=O)C2(CCCC2)NC[C@@]1(C)c1cc(F)cc(F)c1.
What is the InChIKey of methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate?
The InChIKey is DKEKVCSPUSOFNJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-17(12-7-13(19)9-14(20)8-12)11-21-18(5-3-4-6-18)16(24)22(17)10-15(23)25-2/h7-9,21H,3-6,10-11H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate?
methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate has a molecular weight of 352.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetate is sourced from PubChem (CID 58118684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).