8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one

C22H27FN2OS — CID 118666604

IUPAC8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(Cc1ccc(F)s1)C2
InChIInChI=1S/C22H27FN2OS/c1-24(2)22(17-6-4-3-5-7-17)12-10-21(11-13-22)14-20(26)25(16-21)15-18-8-9-19(23)27-18/h3-9H,10-16H2,1-2H3
InChIKeyJIUCHVNSLLLERY-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.64
Rot. Bonds4

About 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one (PubChem CID 118666604) has the molecular formula C22H27FN2OS and a molecular weight of 386.54 g/mol. Its IUPAC name is 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one
PubChem CID118666604
Molecular FormulaC22H27FN2OS
Molecular Weight386.54 g/mol
Exact Mass386.18
IUPAC Name8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(Cc1ccc(F)s1)C2
InChIInChI=1S/C22H27FN2OS/c1-24(2)22(17-6-4-3-5-7-17)12-10-21(11-13-22)14-20(26)25(16-21)15-18-8-9-19(23)27-18/h3-9H,10-16H2,1-2H3
InChIKeyJIUCHVNSLLLERY-UHFFFAOYSA-N
XLogP4.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one with MolForge

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Related Compounds

Rac-4-phenyl-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11188596
4-(4-Fluoro-phenyl)-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11269915
4-(4-Fluoro-phenyl)-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11441323
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
(4-Tert-butylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 16312479
(3R,3aS,7R,7aS)-3-[4-(1-benzothiophen-2-yl)-2-fluorophenyl]-2-benzyl-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746422
Rac-4-phenyl-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 44414664
4-(4-Fluorophenyl)-8-(1-thiophen-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45263429
4-(4-Fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45263430
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methylbutan-1-one
CID 155536757

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one (CID 118666604) is 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one is CN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(Cc1ccc(F)s1)C2.
What is the InChIKey of 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is JIUCHVNSLLLERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2OS/c1-24(2)22(17-6-4-3-5-7-17)12-10-21(11-13-22)14-20(26)25(16-21)15-18-8-9-19(23)27-18/h3-9H,10-16H2,1-2H3.
What are the key properties of 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 386.54 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118666604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).