3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide

C17H22FN3O3 — CID 23140398

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC(N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C17H22FN3O3/c18-13-2-1-3-14(10-13)19-16(22)21-11-15(12-21)20-6-4-17(5-7-20)23-8-9-24-17/h1-3,10,15H,4-9,11-12H2,(H,19,22)
InChIKeyGOTNPQTTYIZJSP-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.88
Rot. Bonds2

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide (PubChem CID 23140398) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
PubChem CID23140398
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC(N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C17H22FN3O3/c18-13-2-1-3-14(10-13)19-16(22)21-11-15(12-21)20-6-4-17(5-7-20)23-8-9-24-17/h1-3,10,15H,4-9,11-12H2,(H,19,22)
InChIKeyGOTNPQTTYIZJSP-UHFFFAOYSA-N
XLogP1.88
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide with MolForge

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Related Compounds

methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate
CID 23140589
N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
CID 23140022
3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 67082537
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-(4-fluorophenyl)-3-morpholin-4-ylazetidine-1-carboxamide
CID 23140323
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109215730
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-(3-methylsulfanylphenyl)-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23139938
N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide
CID 79681361
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide (CID 23140398) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CC(N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide?
The InChIKey is GOTNPQTTYIZJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-13-2-1-3-14(10-13)19-16(22)21-11-15(12-21)20-6-4-17(5-7-20)23-8-9-24-17/h1-3,10,15H,4-9,11-12H2,(H,19,22).
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23140398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).