1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one

C26H31FN2O4 — CID 3808183

IUPAC1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one
SMILESCCOc1ccc(C(=O)N2CCC3(CCN(C(=O)CCOc4ccccc4F)C3)CC2)cc1
InChIInChI=1S/C26H31FN2O4/c1-2-32-21-9-7-20(8-10-21)25(31)28-15-12-26(13-16-28)14-17-29(19-26)24(30)11-18-33-23-6-4-3-5-22(23)27/h3-10H,2,11-19H2,1H3
InChIKeyVHLPMBKTUQKVRJ-UHFFFAOYSA-N
MW454.54 g/mol
LogP4.15
Rot. Bonds7

About 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one

1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one (PubChem CID 3808183) has the molecular formula C26H31FN2O4 and a molecular weight of 454.54 g/mol. Its IUPAC name is 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one
PubChem CID3808183
Molecular FormulaC26H31FN2O4
Molecular Weight454.54 g/mol
Exact Mass454.23
IUPAC Name1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one
SMILESCCOc1ccc(C(=O)N2CCC3(CCN(C(=O)CCOc4ccccc4F)C3)CC2)cc1
InChIInChI=1S/C26H31FN2O4/c1-2-32-21-9-7-20(8-10-21)25(31)28-15-12-26(13-16-28)14-17-29(19-26)24(30)11-18-33-23-6-4-3-5-22(23)27/h3-10H,2,11-19H2,1H3
InChIKeyVHLPMBKTUQKVRJ-UHFFFAOYSA-N
XLogP4.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one with MolForge

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Related Compounds

3-(2-fluorophenoxy)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 71984038
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone
CID 3262527
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
CID 3504433
[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 4296379
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 3824111
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
3-fluoro-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258328
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798374
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 5174173
4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
CID 4740273

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one?
The IUPAC name of 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one (CID 3808183) is 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one.
What is the SMILES notation for 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one?
The canonical SMILES for 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one is CCOc1ccc(C(=O)N2CCC3(CCN(C(=O)CCOc4ccccc4F)C3)CC2)cc1.
What is the InChIKey of 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one?
The InChIKey is VHLPMBKTUQKVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O4/c1-2-32-21-9-7-20(8-10-21)25(31)28-15-12-26(13-16-28)14-17-29(19-26)24(30)11-18-33-23-6-4-3-5-22(23)27/h3-10H,2,11-19H2,1H3.
What are the key properties of 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one?
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one has a molecular weight of 454.54 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one is sourced from PubChem (CID 3808183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).