2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one

C21H28FN3O2 — CID 72861677

IUPAC2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(CC(=O)N1CCC(c3ccc(F)cc3)C1)C2
InChIInChI=1S/C21H28FN3O2/c1-23-10-7-21(8-11-23)12-19(26)25(15-21)14-20(27)24-9-6-17(13-24)16-2-4-18(22)5-3-16/h2-5,17H,6-15H2,1H3
InChIKeyQDQHOYXBSUDYNI-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.09
Rot. Bonds3

About 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one

2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72861677) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72861677
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(CC(=O)N1CCC(c3ccc(F)cc3)C1)C2
InChIInChI=1S/C21H28FN3O2/c1-23-10-7-21(8-11-23)12-19(26)25(15-21)14-20(27)24-9-6-17(13-24)16-2-4-18(22)5-3-16/h2-5,17H,6-15H2,1H3
InChIKeyQDQHOYXBSUDYNI-UHFFFAOYSA-N
XLogP2.09
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 72861677) is 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CCC2(CC1)CC(=O)N(CC(=O)N1CCC(c3ccc(F)cc3)C1)C2.
What is the InChIKey of 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QDQHOYXBSUDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-23-10-7-21(8-11-23)12-19(26)25(15-21)14-20(27)24-9-6-17(13-24)16-2-4-18(22)5-3-16/h2-5,17H,6-15H2,1H3.
What are the key properties of 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one?
2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 373.47 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72861677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).