[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone

C18H23FN2O2 — CID 134072682

IUPAC[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC2(CCN2Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c19-15-5-3-14(4-6-15)12-21-10-8-18(21)7-9-20(13-18)17(22)16-2-1-11-23-16/h3-6,16H,1-2,7-13H2
InChIKeyGYIHQLIBIWJAPT-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.18
Rot. Bonds3

About [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone

[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone (PubChem CID 134072682) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone
PubChem CID134072682
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC2(CCN2Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c19-15-5-3-14(4-6-15)12-21-10-8-18(21)7-9-20(13-18)17(22)16-2-1-11-23-16/h3-6,16H,1-2,7-13H2
InChIKeyGYIHQLIBIWJAPT-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone with MolForge

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Related Compounds

1-(4-Methylbenzyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2971292
4-[(2-Fluorophenyl)methyl]piperazinyl oxolan-2-yl ketone
CID 6469370
2-[(3-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 49523348
1-[(4-Fluorophenyl)methyl]-3-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-YL]pyrrolidin-2-one
CID 53195103
1-{1-[(2,4-Difluorophenyl)methyl]piperidin-4-YL}-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912910
1-{1-[(3,4-Difluorophenyl)methyl]piperidin-4-YL}-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912911
[4-[2-Amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51001130
[4-[2-(4-Fluorophenyl)-2-(2-methoxyethylamino)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51001211
3-[(p-fluorophenyl)methyl]-8-[(S)-perhydro-2-furoyl]-1,3,8-triaza-2,4-spiro[4.5]decanedione
CID 42109455
5-[2-[(4-Fluorophenyl)methylamino]ethyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 45191639
N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide
CID 51073090
1-(4-Fluorobenzyl)-4-[(2-methyltetrahydrofuran-2-yl)carbonyl]piperazin-2-one
CID 56753009

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone (CID 134072682) is [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC2(CCN2Cc2ccc(F)cc2)C1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone?
The InChIKey is GYIHQLIBIWJAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-15-5-3-14(4-6-15)12-21-10-8-18(21)7-9-20(13-18)17(22)16-2-1-11-23-16/h3-6,16H,1-2,7-13H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone?
[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone has a molecular weight of 318.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 134072682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).