2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one

C20H25FN2O2 — CID 72858406

IUPAC2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
SMILESO=C(CN1CC2(CCCC2)CC1=O)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C20H25FN2O2/c21-17-6-2-1-5-16(17)15-7-10-22(12-15)19(25)13-23-14-20(11-18(23)24)8-3-4-9-20/h1-2,5-6,15H,3-4,7-14H2
InChIKeyLIBKEABRLMIMJQ-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.93
Rot. Bonds3

About 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one

2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one (PubChem CID 72858406) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
PubChem CID72858406
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
SMILESO=C(CN1CC2(CCCC2)CC1=O)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C20H25FN2O2/c21-17-6-2-1-5-16(17)15-7-10-22(12-15)19(25)13-23-14-20(11-18(23)24)8-3-4-9-20/h1-2,5-6,15H,3-4,7-14H2
InChIKeyLIBKEABRLMIMJQ-UHFFFAOYSA-N
XLogP2.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 97268997
2-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 72861677
2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
CID 72889863
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
2-[2-oxo-2-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-2-azaspiro[4.6]undecan-3-one
CID 45251222
2-[2-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2-azaspiro[4.4]nonan-3-one
CID 72905887
2-(3-oxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 23336694
4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
CID 94701076
2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
CID 140930148
2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-piperazin-1-ylethanone
CID 70639787
1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70722217
[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 102560004

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one (CID 72858406) is 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one is O=C(CN1CC2(CCCC2)CC1=O)N1CCC(c2ccccc2F)C1.
What is the InChIKey of 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one?
The InChIKey is LIBKEABRLMIMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-17-6-2-1-5-16(17)15-7-10-22(12-15)19(25)13-23-14-20(11-18(23)24)8-3-4-9-20/h1-2,5-6,15H,3-4,7-14H2.
What are the key properties of 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one?
2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one has a molecular weight of 344.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 72858406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).