(1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C18H31FN2O3 — CID 131679877

IUPAC(1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCCN1CC2(CCN(C(=O)C3(F)CCC3)CC2)CC1COC
InChIInChI=1S/C18H31FN2O3/c1-23-11-10-21-14-17(12-15(21)13-24-2)6-8-20(9-7-17)16(22)18(19)4-3-5-18/h15H,3-14H2,1-2H3
InChIKeyCEVDTPKJSPBXAT-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.85
Rot. Bonds6

About (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

(1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 131679877) has the molecular formula C18H31FN2O3 and a molecular weight of 342.46 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID131679877
Molecular FormulaC18H31FN2O3
Molecular Weight342.46 g/mol
Exact Mass342.23
IUPAC Name(1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCCN1CC2(CCN(C(=O)C3(F)CCC3)CC2)CC1COC
InChIInChI=1S/C18H31FN2O3/c1-23-11-10-21-14-17(12-15(21)13-24-2)6-8-20(9-7-17)16(22)18(19)4-3-5-18/h15H,3-14H2,1-2H3
InChIKeyCEVDTPKJSPBXAT-UHFFFAOYSA-N
XLogP1.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843206
[(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486844
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97475682
(3,4-difluorophenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97482492
1-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97475871
(1-fluorocyclopropyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 131684327
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131680347
(4-fluoro-2-methylphenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476426
(6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131681940
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-2-pyridinyl)methanone
CID 131663252
1-[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid
CID 171693432
1-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-phenoxyethanone;2,2,2-trifluoroacetic acid
CID 155830450

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 131679877) is (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is COCCN1CC2(CCN(C(=O)C3(F)CCC3)CC2)CC1COC.
What is the InChIKey of (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is CEVDTPKJSPBXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2O3/c1-23-11-10-21-14-17(12-15(21)13-24-2)6-8-20(9-7-17)16(22)18(19)4-3-5-18/h15H,3-14H2,1-2H3.
What are the key properties of (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 342.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131679877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).