4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

C20H25FN2O4 — CID 139002141

IUPAC4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C20H25FN2O4/c21-16-1-3-17(4-2-16)23-12-15(11-18(23)24)19(25)22-7-10-27-14-20(13-22)5-8-26-9-6-20/h1-4,15H,5-14H2
InChIKeyUKDGNYSHAPPWTG-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.83
Rot. Bonds2

About 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 139002141) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID139002141
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C20H25FN2O4/c21-16-1-3-17(4-2-16)23-12-15(11-18(23)24)19(25)22-7-10-27-14-20(13-22)5-8-26-9-6-20/h1-4,15H,5-14H2
InChIKeyUKDGNYSHAPPWTG-UHFFFAOYSA-N
XLogP1.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one with MolForge

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Related Compounds

4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 90537417
(3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one
CID 97223350
(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 40979269
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 18573660
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310611
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
(4R)-1-(4-fluorophenyl)-4-[(3S)-3-(4-fluorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 99979673
(4R)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857784
(4S)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857788
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839

Frequently Asked Questions

What is the IUPAC name of 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (CID 139002141) is 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCOCC2(CCOCC2)C1.
What is the InChIKey of 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is UKDGNYSHAPPWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c21-16-1-3-17(4-2-16)23-12-15(11-18(23)24)19(25)22-7-10-27-14-20(13-22)5-8-26-9-6-20/h1-4,15H,5-14H2.
What are the key properties of 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 376.43 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 139002141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).