8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one

C21H31FN2O2S — CID 118661993

IUPAC8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one
SMILESCOC1(CCN2CC3(CCC(c4ccc(F)s4)(N(C)C)CC3)CC2=O)CC1
InChIInChI=1S/C21H31FN2O2S/c1-23(2)21(16-4-5-17(22)27-16)10-6-19(7-11-21)14-18(25)24(15-19)13-12-20(26-3)8-9-20/h4-5H,6-15H2,1-3H3
InChIKeyKQIOLUMQODNTLM-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.01
Rot. Bonds6

About 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one (PubChem CID 118661993) has the molecular formula C21H31FN2O2S and a molecular weight of 394.56 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one
PubChem CID118661993
Molecular FormulaC21H31FN2O2S
Molecular Weight394.56 g/mol
Exact Mass394.21
IUPAC Name8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one
SMILESCOC1(CCN2CC3(CCC(c4ccc(F)s4)(N(C)C)CC3)CC2=O)CC1
InChIInChI=1S/C21H31FN2O2S/c1-23(2)21(16-4-5-17(22)27-16)10-6-19(7-11-21)14-18(25)24(15-19)13-12-20(26-3)8-9-20/h4-5H,6-15H2,1-3H3
InChIKeyKQIOLUMQODNTLM-UHFFFAOYSA-N
XLogP4.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one with MolForge

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Related Compounds

8-(Dimethylamino)-2-[2-(1-methoxycyclobutyl)ethyl]-8-thiophen-2-yl-2-azaspiro[4.5]decan-3-one
CID 118662342
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118661931
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-3-one
CID 118662004
[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclopropyl]methanone
CID 118662049
1-[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 118662107
1-[8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-azaspiro[4.5]decan-3-yl]-3-methoxy-3-methylbutan-1-one
CID 118662289
8-Dimethylamino-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decane-2-carboxylic acid tert-butyl ester
CID 118662335
8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-(3-methoxy-3-methylbutyl)-2-azaspiro[4.5]decan-3-one
CID 118662375
[8-(Dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 118662474
Tert-butyl [8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-3-oxo-2-azaspiro[4.5]decan-2-yl] carbonate
CID 118665977
8-(Dimethylamino)-2-[(5-fluorothiophen-2-yl)methyl]-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118666604

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one (CID 118661993) is 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one is COC1(CCN2CC3(CCC(c4ccc(F)s4)(N(C)C)CC3)CC2=O)CC1.
What is the InChIKey of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one?
The InChIKey is KQIOLUMQODNTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2S/c1-23(2)21(16-4-5-17(22)27-16)10-6-19(7-11-21)14-18(25)24(15-19)13-12-20(26-3)8-9-20/h4-5H,6-15H2,1-3H3.
What are the key properties of 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one has a molecular weight of 394.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118661993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).