8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one

C21H27FN2O2 — CID 125155260

IUPAC8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(C(=O)[C@@]1(c3ccc(F)cc3)CC1(C)C)CC2
InChIInChI=1S/C21H27FN2O2/c1-19(2)14-21(19,15-4-6-16(22)7-5-15)18(26)24-12-10-20(11-13-24)9-8-17(25)23(20)3/h4-7H,8-14H2,1-3H3/t21-/m0/s1
InChIKeyFRLDROUFZDMSRT-NRFANRHFSA-N
MW358.46 g/mol
LogP3.11
Rot. Bonds2

About 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one

8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 125155260) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID125155260
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(C(=O)[C@@]1(c3ccc(F)cc3)CC1(C)C)CC2
InChIInChI=1S/C21H27FN2O2/c1-19(2)14-21(19,15-4-6-16(22)7-5-15)18(26)24-12-10-20(11-13-24)9-8-17(25)23(20)3/h4-7H,8-14H2,1-3H3/t21-/m0/s1
InChIKeyFRLDROUFZDMSRT-NRFANRHFSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one (CID 125155260) is 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CCC12CCN(C(=O)[C@@]1(c3ccc(F)cc3)CC1(C)C)CC2.
What is the InChIKey of 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FRLDROUFZDMSRT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-19(2)14-21(19,15-4-6-16(22)7-5-15)18(26)24-12-10-20(11-13-24)9-8-17(25)23(20)3/h4-7H,8-14H2,1-3H3/t21-/m0/s1.
What are the key properties of 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 358.46 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 125155260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).