1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone

C22H25FN2O2S — CID 56702894

IUPAC1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2)cs1
InChIInChI=1S/C22H25FN2O2S/c1-16(26)20-11-18(13-28-20)21(27)25-10-8-22(15-25)7-2-9-24(14-22)12-17-3-5-19(23)6-4-17/h3-6,11,13H,2,7-10,12,14-15H2,1H3
InChIKeyDLCDLCAZDOEVLT-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.22
Rot. Bonds4

About 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone

1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone (PubChem CID 56702894) has the molecular formula C22H25FN2O2S and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone
PubChem CID56702894
Molecular FormulaC22H25FN2O2S
Molecular Weight400.52 g/mol
Exact Mass400.16
IUPAC Name1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2)cs1
InChIInChI=1S/C22H25FN2O2S/c1-16(26)20-11-18(13-28-20)21(27)25-10-8-22(15-25)7-2-9-24(14-22)12-17-3-5-19(23)6-4-17/h3-6,11,13H,2,7-10,12,14-15H2,1H3
InChIKeyDLCDLCAZDOEVLT-UHFFFAOYSA-N
XLogP4.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
[(5R)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 42415530
5-[(5R)-9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophene-3-carboxamide
CID 164631595
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56702363
2-(azepan-1-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45182786
5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one
CID 45224502
(2-ethyl-5-methylpyrazol-3-yl)-[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 25372862
[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 42095149
(2-ethyl-5-methylpyrazol-3-yl)-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45212420
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981
[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 42290063
(4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 95191462

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone (CID 56702894) is 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1cc(C(=O)N2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2)cs1.
What is the InChIKey of 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is DLCDLCAZDOEVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2S/c1-16(26)20-11-18(13-28-20)21(27)25-10-8-22(15-25)7-2-9-24(14-22)12-17-3-5-19(23)6-4-17/h3-6,11,13H,2,7-10,12,14-15H2,1H3.
What are the key properties of 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone?
1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 400.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 56702894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).