1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone

C22H27FN4O2 — CID 87051819

IUPAC1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone
SMILESCN1CC(c2noc(C3CC3)n2)C2(CCN(C(=O)Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H27FN4O2/c1-26-13-18(20-24-21(29-25-20)16-4-5-16)22(14-26)8-10-27(11-9-22)19(28)12-15-2-6-17(23)7-3-15/h2-3,6-7,16,18H,4-5,8-14H2,1H3
InChIKeyCZIGCTOIXGGFMN-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.97
Rot. Bonds4

About 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 87051819) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone
PubChem CID87051819
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone
SMILESCN1CC(c2noc(C3CC3)n2)C2(CCN(C(=O)Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H27FN4O2/c1-26-13-18(20-24-21(29-25-20)16-4-5-16)22(14-26)8-10-27(11-9-22)19(28)12-15-2-6-17(23)7-3-15/h2-3,6-7,16,18H,4-5,8-14H2,1H3
InChIKeyCZIGCTOIXGGFMN-UHFFFAOYSA-N
XLogP2.97
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone with MolForge

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Related Compounds

1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 42760561
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
2-(4-aminophenyl)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119818407
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 120956441
2-(4-fluorophenyl)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 142778838
2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 110868312
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
2-(4-chlorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91922038
(3R,4S)-1-[2-(4-fluorophenyl)acetyl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid
CID 162630367
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120960207
2-(4-fluorophenyl)-1-[3-(1-methylpiperidin-3-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 110260206

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone (CID 87051819) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone is CN1CC(c2noc(C3CC3)n2)C2(CCN(C(=O)Cc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is CZIGCTOIXGGFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-26-13-18(20-24-21(29-25-20)16-4-5-16)22(14-26)8-10-27(11-9-22)19(28)12-15-2-6-17(23)7-3-15/h2-3,6-7,16,18H,4-5,8-14H2,1H3.
What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 398.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 87051819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).