1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone

C18H22FNO3 — CID 71785139

IUPAC1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCC2(CC1)OCCCO2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FNO3/c19-15-4-2-14(3-5-15)17(6-7-17)16(21)20-10-8-18(9-11-20)22-12-1-13-23-18/h2-5H,1,6-13H2
InChIKeyKAMORADTMNAHFQ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.61
Rot. Bonds2

About 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone

1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 71785139) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID71785139
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCC2(CC1)OCCCO2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FNO3/c19-15-4-2-14(3-5-15)17(6-7-17)16(21)20-10-8-18(9-11-20)22-12-1-13-23-18/h2-5H,1,6-13H2
InChIKeyKAMORADTMNAHFQ-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
[1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 134160566
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
[1-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500934
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
CID 51133844
1-[1-(4-fluorophenyl)cyclohexanecarbonyl]-1,4-diazepan-5-one
CID 56821181
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
(5R)-9-[4-(4-fluorophenyl)oxane-4-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95728573
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260

Frequently Asked Questions

What is the IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone (CID 71785139) is 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone is O=C(N1CCC2(CC1)OCCCO2)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is KAMORADTMNAHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c19-15-4-2-14(3-5-15)17(6-7-17)16(21)20-10-8-18(9-11-20)22-12-1-13-23-18/h2-5H,1,6-13H2.
What are the key properties of 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone?
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 319.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 71785139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).