4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

C19H23FN2O4 — CID 90537417

IUPAC4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCC1(C)OCC2(CO1)CN(C(=O)C1CC(=O)N(c3ccc(F)cc3)C1)C2
InChIInChI=1S/C19H23FN2O4/c1-18(2)25-11-19(12-26-18)9-21(10-19)17(24)13-7-16(23)22(8-13)15-5-3-14(20)4-6-15/h3-6,13H,7-12H2,1-2H3
InChIKeyKBMQHAGNYQTHPK-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.79
Rot. Bonds2

About 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 90537417) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID90537417
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCC1(C)OCC2(CO1)CN(C(=O)C1CC(=O)N(c3ccc(F)cc3)C1)C2
InChIInChI=1S/C19H23FN2O4/c1-18(2)25-11-19(12-26-18)9-21(10-19)17(24)13-7-16(23)22(8-13)15-5-3-14(20)4-6-15/h3-6,13H,7-12H2,1-2H3
InChIKeyKBMQHAGNYQTHPK-UHFFFAOYSA-N
XLogP1.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one with MolForge

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Related Compounds

4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 139002141
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310611
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
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
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42649258
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (CID 90537417) is 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is CC1(C)OCC2(CO1)CN(C(=O)C1CC(=O)N(c3ccc(F)cc3)C1)C2.
What is the InChIKey of 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is KBMQHAGNYQTHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-18(2)25-11-19(12-26-18)9-21(10-19)17(24)13-7-16(23)22(8-13)15-5-3-14(20)4-6-15/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 362.40 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 90537417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).