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

C19H29FN2OS — CID 118662107

IUPAC1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(c3ccc(F)s3)(N(C)C)CC2)C1
InChIInChI=1S/C19H29FN2OS/c1-4-5-17(23)22-13-12-18(14-22)8-10-19(11-9-18,21(2)3)15-6-7-16(20)24-15/h6-7H,4-5,8-14H2,1-3H3
InChIKeyBMOQHIPHKXYQHH-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.24
Rot. Bonds4

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

1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one (PubChem CID 118662107) has the molecular formula C19H29FN2OS and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
PubChem CID118662107
Molecular FormulaC19H29FN2OS
Molecular Weight352.52 g/mol
Exact Mass352.20
IUPAC Name1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(c3ccc(F)s3)(N(C)C)CC2)C1
InChIInChI=1S/C19H29FN2OS/c1-4-5-17(23)22-13-12-18(14-22)8-10-19(11-9-18,21(2)3)15-6-7-16(20)24-15/h6-7H,4-5,8-14H2,1-3H3
InChIKeyBMOQHIPHKXYQHH-UHFFFAOYSA-N
XLogP4.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methylbutan-1-one
CID 155536757
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 155537352
[4-(5-Tert-butylthiophen-2-yl)-2-fluorophenyl]-pyrrolidin-1-ylmethanone
CID 59138580
1-[(1R,2S)-2-(4-fluorophenyl)-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-one
CID 70832769
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-[2-(1-methoxycyclopropyl)ethyl]-2-azaspiro[4.5]decan-3-one
CID 118661993
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
2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662057
8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662163
1-[8-Dimethylamino-8-(5-fluorothiophen-2-yl)-3-azaspiro[4.5]decan-3-yl]-3-methoxy-3-methylbutan-1-one
CID 118662289

Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The IUPAC name of 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one (CID 118662107) is 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one.
What is the SMILES notation for 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The canonical SMILES for 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one is CCCC(=O)N1CCC2(CCC(c3ccc(F)s3)(N(C)C)CC2)C1.
What is the InChIKey of 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The InChIKey is BMOQHIPHKXYQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2OS/c1-4-5-17(23)22-13-12-18(14-22)8-10-19(11-9-18,21(2)3)15-6-7-16(20)24-15/h6-7H,4-5,8-14H2,1-3H3.
What are the key properties of 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one?
1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one has a molecular weight of 352.52 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(dimethylamino)-8-(5-fluorothiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one is sourced from PubChem (CID 118662107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).